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Results for "

toxic metabolite

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Drug Metabolite (38) Endogenous Metabolite (22) ADC Payload (1) Akt (2) Androgen Receptor (1) Antibiotic (1) Apoptosis (4) Bacterial (3) c-Myc (1) Caspase (1) Cholinesterase (ChE) (1) COX (3) Cytochrome P450 (9) DNA Alkylator/Crosslinker (1) Drug Derivative (1) Environmental Pollutants (2) ERK (1) Estrogen Receptor/ERR (2) Fungal (1) Glycolate Oxidase (2) Glyoxalase (GLO) (1) GSK-3 (1) HIV (1) HIV Protease (1) Isotope-Labeled Compounds (11) JNK (1) Lipoxygenase (3) Microtubule/Tubulin (1) Mitochondrial Metabolism (2) mTOR (2) nAChR (1) p38 MAPK (1) Parasite (3) PARP (1) PGE synthase (3) PI3K (2) PPAR (2) Reactive Oxygen Species (ROS) (5) Reference Standards (16) Small Interfering RNA (siRNA) (2) STAT (1) Topoisomerase (2) VD/VDR (2) β-catenin (1)
By Research Areas:	Cancer (25) Endocrinology (3) Infection (14) Inflammation/Immunology (9) Metabolic Disease (22) Neurological Disease (4)
Oligonucleotides:	siRNA drugs (2) siRNAs (2)

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

Peptides

Natural
Products

Isotope-Labeled Compounds

Oligonucleotides

Targets Recommended: Drug Metabolite Endogenous Metabolite

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-W008719

MPP+ iodide 30+ Cited Publications	Mitochondrial Metabolism	Neurological Disease
MPP+ iodide, a toxic metabolite of the neurotoxin MPTP, causes symptom of Parkinson's disease in animal models by selectively destroying dopaminergic neurons in substantia nigra. MPP+ iodide is taken up by the dopamine transporter into dopaminergic neurons where it exerts its neurotoxic action on mitochondria by affecting complex I of the respiratory chain. MPP+ iodide is also a high affinity substrate for the serotonin transporter (SERT) .

HY-126373

SN-38 glucuronide SN-38G	Drug Metabolite	Cancer
SN-38 glucuronide is an inactive metabolite of the anticancer active molecule Irinotecan (HY-16562) and has toxic effects on the gastrointestinal tract. Irinotecan is a topoisomerase I inhibitor which can be used for researching colon and rectal cancer .

HY-B0876

Fomepizole 4 Publications Verification 4-Methylpyrazole	Cytochrome P450	Metabolic Disease
Fomepizole (4-Methylpyrazole) is a potent cytochrome P450 (CYP2E1) inhibitor. Fomepizole is a competitive inhibitor of the enzyme alcohol dehydrogenase. Fomepizole blocks further conversion of methanol and ethylene glycol to toxic metabolites. Fomepizole has the potential for an antidote for ethylene glycol or methanol poisoning .

HY-106591A

4-Vinylcyclohexene dioxide Vinylcyclohexene diepoxide	Environmental Pollutants Akt Apoptosis mTOR Reactive Oxygen Species (ROS) PI3K	Endocrinology
4-Vinylcyclohexene dioxide (4-Vinylcyclohexene diepoxide) is an orally active metabolite of 4-vinylcyclohexene. 4-Vinylcyclohexene dioxide induces Apoptosis, increases intracellular ROS, and activates the PI3K/Akt/mTOR pathway. 4-Vinylcyclohexene dioxide selectively damages small ovarian follicles, inhibits granulosa cell function, and disrupts the male reproductive system. 4-Vinylcyclohexene dioxide can be used in the study of premature ovarian insufficiency, reproductive toxicity, and related fertility disorders .

HY-132588

Lumasiran ALN-G01	Small Interfering RNA (siRNA) Glycolate Oxidase	Metabolic Disease
Lumasiran (ALN-G01), a siRNA product, reduces hepatic oxalate production by targeting glycolate oxidase. By silencing the gene encoding glycolate oxidase, Lumasiran depletes glycolate oxidase and thereby inhibits the synthesis of oxalate, which is the toxic metabolite that is directly associated with the clinical manifestations of Primary hyperoxaluria type 1 (PH1) .

HY-125348

6α-Hydroxy paclitaxel	Drug Metabolite	Cancer
6α-Hydroxy paclitaxel is one of the main metabolites of Paclitaxel (PTX) (HY-B0015), and it is generated by the liver cytochrome P450 enzyme CYP2C8. 6α-Hydroxy paclitaxel has bone marrow toxicity, but it can enhance the cytotoxicity of PTX against leukemia cells without causing cell toxicity. 6α-Hydroxy paclitaxel can be used in leukemia research .

HY-133668

Monoethyl phthalate	Drug Metabolite Cytochrome P450 PPAR	Endocrinology Cancer
Monoethyl phthalate is an orally active PDX-1 activator and the major hydrolytic metabolite of Diethyl phthalate (HY-Y0284) in vivo, with reproductive toxicity. Monoethyl phthalate targets aromatase (aromatase/CYP19A1) and PPAR to induce cell proliferation. The plasma protein binding rate of Monoethyl phthalate in rats and humans is lower than that of Diethyl phthalate. It exhibits significant enterohepatic circulation in rats and mainly accumulates in liver tissues. Monoethyl phthalate shows no estrogenic activity in estrogen-dependent human breast cancer cells. Monoethyl phthalate can be used in studies of reproductive toxicity and related environmental endocrine disruption mechanisms .

HY-W017464

NAPQI N-Acetyl-4-benzoquinone Imine	Drug Metabolite Endogenous Metabolite	Metabolic Disease
NAPQI is the toxic metabolite of Acetaminophen (HY-66005). NAPQI is also an inhibitor of enzymes in the vitamin K cycle. NAPQI is rapidly detoxified by glutathione (GSH), but in situations of GSH deficiency, excess NAPQI reacts with cysteine residues in proteins, causing cell death and toxicity in the liver .

HY-111278

Pyocyanin 2 Publications Verification Pyocyanine; Sanazin; Sanasin	Reactive Oxygen Species (ROS) Bacterial Drug Metabolite Endogenous Metabolite	Infection Inflammation/Immunology
Pyocyanin (Pyocyanine) is a toxic, quorum sensing (QS) controlled metabolite produced by Pseudomonas aeruginosa. Pyocyanin is a REDOX active compound that promotes the production of reactive oxygen species (ROS). Pyocyanin has antibacterial and anti-inflammatory activity .

HY-132613

Lumasiran sodium	Small Interfering RNA (siRNA) Glycolate Oxidase	Metabolic Disease
Lumasiran sodium, an investigational RNA interference (RNAi) therapeutic agent, reduces hepatic oxalate production by targeting glycolate oxidase. Lumasiran sodium reduces urinary oxalate excretion, the cause of progressive kidney failure in primary hyperoxaluria type 1 (PH1) .

HY-N11678

Deoxynivalenol-3-β-D-glucoside DON-3-β-D-glucoside; Deoxynivalenol 3-glucoside	Drug Metabolite	Metabolic Disease
Deoxynivalenol-3-β-D-glucoside (DON-3-β-D-glucoside) is a plant metabolite of the Fusarium mycotoxin Deoxynivalenol (HY-N6684). Deoxynivalenol-3-β-D-glucoside exhibits lower toxicity than Deoxynivalenol in vitro and in vivo .

HY-13568

Benoxaprofen LRCL 3794	Cytochrome P450 COX Lipoxygenase PGE synthase	Inflammation/Immunology
Benoxaprofen (LRCL 3794) is a nonsteroidal anti-inflammatory agent that blocks the biosynthesis of inflammatory mediators such as leukotrienes and prostaglandins by inhibiting 5-LOX, PGH2 synthase and cytochrome P-450. Benoxaprofen exhibits significant toxicity: it not only alters cellular redox status, uncouples oxidative phosphorylation and disrupts calcium ion homeostasis, but also causes liver injury through the formation of covalent adducts between its active metabolites and hepatic proteins. Benoxaprofen shows strong phototoxicity under ultraviolet irradiation, and induces erythrocyte lysis, mast cell degranulation and histamine release. Benoxaprofen is widely used in studies of urticaria and related phototoxic mechanisms .

HY-N6786

Ochratoxin B	Endogenous Metabolite	Metabolic Disease
Ochratoxin B is an orally active secondary metabolite of Aspergillus ochraceus and non-chlorinated analog of the mycotoxin Ochratoxin A. Ochratoxin B reduces the toxic effects of Ochratoxin A (HY-N6788). Ochratoxin B inhibits cell division. Ochratoxin B causes craniofacial malformations in Xenopus laevis embryos .

HY-G0004

Acetaminophen metabolite 3-hydroxy-acetaminophen 3-Hydroxyacetaminophen	Drug Metabolite	Inflammation/Immunology
Acetaminophen metabolite 3-hydroxy-acetaminophen (3-Hydroxyacetaminophen) is a non-toxic metabolite and antioxidant of acetaminophen (HY-66005) with free radical scavenging activity. Acetaminophen metabolite 3-hydroxy-acetaminophen can reduce oxidative damage by exerting electron donation ability and antioxidant activity through phenolic hydroxyl groups. 3-hydroxy-acetaminophen can be used to study the toxicity mechanism and drug metabolism of acetaminophen .

HY-142122

Imipramine N-oxide	Drug Metabolite	Neurological Disease
Imipramine N-oxide is the metabolite of Imipramine. Imipramine N-oxide exhibits low toxicity in rat and mouse experiments. Imipramine N-oxide can be used for the research of endogenous depressions .

HY-Y1009

Methoxyacetic acid	Endogenous Metabolite	Metabolic Disease
Methoxyacetic acid is a metabolite of ethylene glycol monomethyl ether. When the concentration of methoxyacetic acid reaches a certain level, it can inhibit the respiratory function of hepatic mitochondria and testicular mitochondria. Methoxyacetic acid is somewhat toxic .

HY-N10508

Calcitroic acid	Drug Metabolite VD/VDR	Metabolic Disease Cancer
Calcitroic acid is a vitamin D receptor (VDR) agonist that can activate VDR-mediated transcription. Calcitroic acid is the main metabolite of 1,25-dihydroxyvitamin D3, with the highest concentrations found in the liver and mucosa of mice, and it has metabolic stability and very low toxicity .

HY-N11576

Secalonic acid D	Apoptosis GSK-3 c-Myc β-catenin	Cancer
Secalonic acid D is a toxic compound against tumor cells. Secalonic acid D can be isolated from the metabolites of Aspergillus aculeatus. Secalonic acid D activates GSK3-β, and degrades β-catenin. Thus, Secalonic acid D down-regulates c-Myc expression, arrests cell cycle at G1 phase, induces cell apoptosis .

HY-N6683

15-Acetyl-deoxynivalenol	Drug Metabolite	Cancer
15-Acetyl-deoxynivalenol is a highly toxic trichothecene found in cereals, and a metabolite of deoxynivalenol, exhibits toxicity to HepG2 cells .

HY-N9484

Menthofuran, 84%	Drug Metabolite	Others
Menthofuran is a proximate toxic metabolite of (R)-(+)-Pulegone. Menthofuran regulates essential oil biosynthesis in peppermint by controlling a downstream monoterpene reductase .

HY-130082

DM4-SMe	ADC Payload Microtubule/Tubulin	Cancer
DM4-SMe is a metabolite of antibody-maytansin conjugates (AMCs) and a tubulin inhibitor, and also a cytotoxic moiety of antibody-drug conjugates (ADCs), which can be linked to antibody through disulfide bond or stable thioether bond. DM4-SMe inhibits KB cells with an IC₅₀ of 0.026 nM. DM4-SMe is a highly toxic metabolite that can be oxidized and detoxified by human liver microsomes .

HY-125348S

6α-Hydroxy Paclitaxel-d5	Isotope-Labeled Compounds	Cancer
6α-Hydroxy Paclitaxel-d₅ is the deuterium labeled 6α-Hydroxy paclitaxel. 6α-Hydroxy paclitaxel is one of the main metabolites of Paclitaxel (PTX) (HY-B0015), and it is generated by the liver cytochrome P450 enzyme CYP2C8. 6α-Hydroxy paclitaxel has bone marrow toxicity, but it can enhance the cytotoxicity of PTX against leukemia cells without causing cell toxicity. 6α-Hydroxy paclitaxel can be used in leukemia research.

HY-119904

Malaoxon	Cholinesterase (ChE)	Infection
Malaoxon is a pesticide metabolite. Malaoxon can induce cellular death in cultured human pulmonary cells. Malaoxon can be used for the research of pulmonary toxicity .

HY-100978

(±)-Hexanoylcarnitine chloride DL-Hexanoylcarnitine chloride	Endogenous Metabolite	Metabolic Disease
(±)-Hexanoylcarnitine chloride is a fatty acid metabolite that breaks down fatty acids into energy that can be used by the body. (±)-Hexanoylcarnitine chloride also serves as a specific and easily detectable biomarker for rat skeletal muscle toxicity. Cerivastatin (HY-129458) and TMPD (HY-W012145) induce an increase in Hexanoylcarnitine in rats in a metabolomic analysis of the rectus femoris muscle. In type 2 diabetes, Hexanoylcarnitine is also significantly associated with and improves prediction of all-cause mortality. Hexanoylcarnitine is a biomarker for the identification of novel pathogenic pathways .

HY-129591

Paraherquamide A PNU-97333	Antibiotic Parasite nAChR	Others
Paraherquamide A (PNU-97333) is a toxic metabolite that can be isolated from Penicillium paraherquei .

HY-13318A

Oseltamivir acid hydrochloride Maximum Cited Publications 75 Publications Verification GS 4071 hydrochloride; Ro 64-0802 hydrochloride; Oseltamivir carboxylate hydrochloride	Drug Metabolite	Infection
Oseltamivir acid hydrochloride is an active metabolite of the antiviral agent Oseltamivir (HY-13317) ethylester. Oseltamivir acid hydrochloride belongs to baseline toxicants in toxicity ratio analysis .

HY-W006000

Tetrachlorocatechol	Drug Metabolite	Others
Tetrachlorocatechol is a metabolite of pentachlorophenol. Tetrachlorocatechol is one of the most toxic chlorinated catechol produced by the chlorobleaching of pulp and frequently found in the kraft pulp mill effluents .

HY-W001953

2-Naphthalenemethanol	Environmental Pollutants Endogenous Metabolite	Others
2-Naphthalenemethanol is the metabolite of environmental pollutant 2-methylnaphthalene. 2-Naphthalenemethanol covalently binds to alveolar protein and induces pulmonary toxicity .

HY-124087

(±)-2-Propyl-4-pentenoic acid 4-en-VPA; 2-Allylpentanoic acid	Drug Metabolite	Others
(±)-2-Propyl-4-pentenoic acid (4-en-VPA) is a major toxic metabolite of Valproic acid. (±)-2-Propyl-4-pentenoic acid exhibits neuroteratogenicity .

HY-125170

Galiellalactone	STAT	Cancer
Galiellalactone is a is a small non-toxic and non-mutagenic fungal metabolite, a selective inhibitor of STAT3 signaling, with an IC₅₀ of 250-500 nM. Galiellalactone can be used to research castration-resistant prostate cancer .

HY-B0876A

Fomepizole hydrochloride 4 Publications Verification 4-Methylpyrazole hydrochloride	Cytochrome P450	Metabolic Disease
Fomepizole (4-Methylpyrazole) hydrochloride is a potent and orally active cytochrome P450 (CYP2E1) inhibitor. Fomepizole hydrochloride is a competitive inhibitor of the enzyme alcohol dehydrogenase. Fomepizole hydrochloride blocks further conversion of methanol and ethylene glycol to toxic metabolites. Fomepizole hydrochloride has the potential for an antidote for ethylene glycol or methanol poisoning .

HY-136913

(Rac)-Rhododendrol (Rac)-Betuligenol	Endogenous Metabolite	Inflammation/Immunology
(Rac)-Rhododendrol ((Rac)-Betuligenol) is an aromatic compound with pro-oxidant activity. (Rac)-Rhododendrol may be useful in the suppression of liver diseases. (Rac)-Rhododendrol can be toxic to melanocytes, leading to cell death. The metabolite of (Rac)-Rhododendrol, RD-quinone, is cytotoxic and causes enzyme inactivation and endoplasmic reticulum stress by binding to thiol proteins. (Rac)-Rhododendrol-derived melanin exhibits potent pro-oxidant activity and may cause oxidative stress .

HY-114577

Palifosfamide tromethamine 2 Publications Verification Isophosphoramide mustard tromethamine; IPM tromethamine; ZIO-201 tromethamine	DNA Alkylator/Crosslinker	Cancer
Palifosfamide (tromethamine) is a synthetic alkylating agent with potential antineoplastic activity. As the stabilized active metabolite of ifosfamide, palifosfamide (tromethamine) irreversibly alkylates and crosslinks DNA through GC base pairs. This leads to an inhibition of DNA replication and ultimately cell death. Compared to ifosfamide, palifosfamide (tromethamine) is less toxic.

HY-W008719S

MPP+-d3iodide	Mitochondrial Metabolism	Neurological Disease
MPP+-d₃ (iodide) is deuterium labeled MPP+ (iodide). MPP+ iodide, a toxic metabolite of the neurotoxin MPTP, causes symptom of Parkinson's disease in animal models by selectively destroying dopaminergic neurons in substantia nigra. MPP+ iodide is taken up by the dopamine transporter into dopaminergic neurons where it exerts its neurotoxic action on mitochondria by affecting complex I of the respiratory chain. MPP+ iodide is also a high affinity substrate for the serotonin transporter (SERT) .

HY-124414A

4'-Hydroxytamoxifen TFA	Estrogen Receptor/ERR Drug Metabolite	Cancer
4'-Hydroxytamoxifen TFA is a salt form of a metabolite of Tamoxifen. 4'-Hydroxytamoxifen TFA has a higher affinity for ER than Tamoxifen. 4'-Hydroxytamoxifen TFA induces non-apoptotic cytotoxicity in human endometrial adenocarcinoma cells .

HY-185057

S-D-Lactoylglutathione S-Lactylglutathione; (R)-S-Lactoylglutathione	Drug Metabolite Glyoxalase (GLO)	Inflammation/Immunology Cancer
S-D-Lactoylglutathione is a crucial intermediate metabolite of the glyoxalase (Glo) system. S-D-Lactoylglutathione acts as a "bridge molecule" for the conversion of methylglyoxal (MGO) into non-toxic D-lactic acid by continuous catalysis from Glo1 to Glo2, preventing cell damage caused by the accumulation of MGO .

HY-N16394

4-Hydroxyscytalone	Endogenous Metabolite	Cancer
4-Hydroxyscytalone (Compound 3) is a microbial secondary metabolite. 4-Hydroxyscytalone can be isolated from the oak fungus Diplodia corticola. 4-Hydroxyscytalone has toxicity against Artemia salina with a LC50 of 90.6 μ/mL, but no significant antifungal activity. 4-Hydroxyscytalone can be used for cancer therapy research .

HY-13533

DMPEN NSC 682691; 4-Demethylpenclomedine	Drug Metabolite	Cancer
DMPEN (NSC 682691) (4-Demethylpenclomedine) is an alkylating metabolite of Penclomedine (HY-106401). DMPEN has an antitumor activity. DMPEN does not induce Purkinje cells loss with no significant neurocerebellar toxicity in rat cerebellum models. DMPEN can be used for cancers like breast and brain cancer research .

HY-148205A

Trypanothione TFA	Drug Derivative	Others
Trypanothione TFA is a bis-glutathionyl derivative, can be isolated from trypanosomatids. Trypanothione TFA itself or assisted by different enzymatic systems is involved in anti-oxidant defense, cell proliferation, removal of toxic compounds and metabolites and iron-sulfur metabolism .

HY-111278R

Pyocyanin (Standard) Pyocyanine (Standard); Sanazin (Standard); Sanasin (Standard)	Reference Standards Reactive Oxygen Species (ROS) Bacterial Drug Metabolite Endogenous Metabolite	Infection Inflammation/Immunology
Pyocyanin (Standard) is the analytical standard of Pyocyanin. This product is intended for research and analytical applications. Pyocyanin (Pyocyanine) is a toxic, quorum sensing (QS) controlled metabolite produced by Pseudomonas aeruginosa. Pyocyanin is a REDOX active compound that promotes the production of reactive oxygen species (ROS). Pyocyanin has antibacterial and anti-inflammatory activity[1][2][3][4].

HY-15899

Des(benzylpyridyl) Atazanavir	HIV Protease HIV Drug Metabolite	Infection
Des(benzylpyridyl) Atazanavir (compound M1) is a N-dealkylation product of Atazanavir (HY-17367) metabolite. Atazanavir is a highly selective HIV-1 protease inhibitor. Des(benzylpyridyl) Atazanavir may contribute to the effectiveness Atazanavir but also to the toxicity and interactions. Des(benzylpyridyl) Atazanavir can be used for further research of Atazanavir effects .

HY-N17272

Cholic acid 3-sulfate	Drug Metabolite	Metabolic Disease
Cholic acid 3-sulfate is the sulfated metabolite of Cholic acid (HY-N0324), produced by liver enzyme sulfotransferase-2A1. Cholic acid 3-sulfate is less toxic than the parent compound, thus serving as a detoxification pathway for bile acids. Cholic acid 3-sulfate does not have the effect of stimulating intestinal secretion .

HY-N6720

T-2 Triol	Endogenous Metabolite	Metabolic Disease
T-2 Triol is a trichothecene mycotoxin derived by the metabolism of T-2 toxin. It is less toxic than T-2 toxin . T-2 Triol major metabolites are evaluated in broiler chickens with Half-lives (t_1/2λz), Peak plasma concentrations (C_max) and T_max values of 9.6 mins, 563 ng/ml , 2.5 mins, respectively .

HY-117179

Endosulfan sulfate	Parasite	Infection
Endosulfan sulfate is the major metabolite of the insecticide Endosulfan, used for various crops. Endosulfan sulfate is more toxic and persistent than Endosulfan .

HY-117179R

Endosulfan sulfate (Standard)	Reference Standards Parasite	Infection
Endosulfan sulfate (Standard) is the analytical standard of Endosulfan sulfate. This product is intended for research and analytical applications. Endosulfan sulfate is the major metabolite of the insecticide Endosulfan, used for various crops. Endosulfan sulfate is more toxic and persistent than Endosulfan .

HY-119904R

Malaoxon (Standard)	Drug Metabolite Reference Standards	Infection
Malaoxon (Standard) is the analytical standard of Malaoxon. This product is intended for research and analytical applications. Malaoxon is a pesticide metabolite. Malaoxon can induce cellular death in cultured human pulmonary cells. Malaoxon can be used for the research of pulmonary toxicity .

HY-121745

Phosmet oxon Imidoxon; Oxoimidan	Drug Metabolite	Infection
Phosmet oxon (Imidoxon) is a main and toxic metabolite of phosmet. Phosmet is a cholinesterase inhibitor insecticide used on pome and stone fruits .

HY-G0004R

Acetaminophen metabolite 3-hydroxy-acetaminophen (Standard) 3-Hydroxyacetaminophen (Standard)	Reference Standards Drug Metabolite	Inflammation/Immunology
Acetaminophen metabolite 3-hydroxy-acetaminophen (3-Hydroxyacetaminophen) (Standard) is the analytical standard of Acetaminophen metabolite 3-hydroxy-acetaminophen (HY-G0004). This product is intended for research and analytical applications. Acetaminophen metabolite 3-hydroxy-acetaminophen is a non-toxic metabolite and antioxidant of acetaminophen (HY-66005) with free radical scavenging activity. Acetaminophen metabolite 3-hydroxy-acetaminophen can reduce oxidative damage by exerting electron donation ability and antioxidant activity through phenolic hydroxyl groups. 3-hydroxy-acetaminophen can be used to study the toxicity mechanism and drug metabolism of acetaminophen .

HY-N6683R

15-Acetyl-deoxynivalenol (Standard)	Reference Standards Drug Metabolite	Cancer
15-Acetyl-deoxynivalenol (Standard) is the analytical standard of 15-Acetyl-deoxynivalenol. This product is intended for research and analytical applications. 15-Acetyl-deoxynivalenol is a highly toxic trichothecene found in cereals, and a metabolite of deoxynivalenol, exhibits toxicity to HepG2 cells .

HY-N8400

Roridin L2	Endogenous Metabolite	Others
Roridin L2, a fungal metabolite, is a biosynthetic precursor of Satratoxin G. Roridin L2 possesses little in vitro or in vivo toxic activity .

Cat. No.	Product Name

HY-L076

Drug-Induced Liver Injury (DILI) Compound Library

641 compounds

Drug-induced liver injury (DILI; also known as drug-induced hepatotoxicity) is caused by medications (prescription or OTC), herbal and dietary supplements (HDS), or other xenobiotics that result in abnormalities in liver tests or in hepatic dysfunction that cannot be explained by other causes. Drugs are an important cause of liver injury. Drug-induced hepatic injury is the most common reason cited for withdrawal of an approved drug.

DILI is thought to occur via several different mechanisms. Among these are direct impairment of the structural (e.g., mitochondrial dysfunction) and functional integrity of the liver; production of a metabolite that alters hepatocellular structure and function; production of a reactive drug metabolite that binds to hepatic proteins to produce new antigenic drug-protein adducts, which are targeted by hosts’ defenses (the hapten hypothesis); and initiation of a systemic hypersensitivity response (i.e., drug allergy) that damages the liver.

MCE Drug-induced Liver Injury (DILI) Compound Library contains a unique collection of 641 hepatotoxicity causing compounds and is a powerful tool to research DILI and other drug toxicities. This library can be used to understand the mechanisms of DILI, identify biomarkers for early DILI prediction, and allow timely recognition during drug development, thus finally achieving successful DILI prevention and assessment in the pre-marketing phase.

Cat. No.	Product Name	Type

HY-W001953

2-Naphthalenemethanol	Biochemical Assay Reagents
2-Naphthalenemethanol is the metabolite of environmental pollutant 2-methylnaphthalene. 2-Naphthalenemethanol covalently binds to alveolar protein and induces pulmonary toxicity .

HY-W001953R

2-Naphthalenemethanol (Standard)	Biochemical Assay Reagents
2-Naphthalenemethanol is the metabolite of environmental pollutant 2-methylnaphthalene. 2-Naphthalenemethanol covalently binds to alveolar protein and induces pulmonary toxicity .

Cat. No.	Product Name	Target	Research Area

HY-185057

S-D-Lactoylglutathione S-Lactylglutathione; (R)-S-Lactoylglutathione	Drug Metabolite Glyoxalase (GLO)	Inflammation/Immunology Cancer
S-D-Lactoylglutathione is a crucial intermediate metabolite of the glyoxalase (Glo) system. S-D-Lactoylglutathione acts as a "bridge molecule" for the conversion of methylglyoxal (MGO) into non-toxic D-lactic acid by continuous catalysis from Glo1 to Glo2, preventing cell damage caused by the accumulation of MGO .

HY-148205A

Trypanothione TFA	Drug Derivative	Others
Trypanothione TFA is a bis-glutathionyl derivative, can be isolated from trypanosomatids. Trypanothione TFA itself or assisted by different enzymatic systems is involved in anti-oxidant defense, cell proliferation, removal of toxic compounds and metabolites and iron-sulfur metabolism .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-133668

Monoethyl phthalate	Other disease Disease markers Endogenous metabolite	Drug Metabolite Cytochrome P450 PPAR
Monoethyl phthalate is an orally active PDX-1 activator and the major hydrolytic metabolite of Diethyl phthalate (HY-Y0284) in vivo, with reproductive toxicity. Monoethyl phthalate targets aromatase (aromatase/CYP19A1) and PPAR to induce cell proliferation. The plasma protein binding rate of Monoethyl phthalate in rats and humans is lower than that of Diethyl phthalate. It exhibits significant enterohepatic circulation in rats and mainly accumulates in liver tissues. Monoethyl phthalate shows no estrogenic activity in estrogen-dependent human breast cancer cells. Monoethyl phthalate can be used in studies of reproductive toxicity and related environmental endocrine disruption mechanisms .

HY-W017464

NAPQI N-Acetyl-4-benzoquinone Imine	Alkaloids Classification of Application Fields Other Alkaloids Metabolic Disease Endogenous metabolite Disease Research Fields Source Classification	Drug Metabolite Endogenous Metabolite
NAPQI is the toxic metabolite of Acetaminophen (HY-66005). NAPQI is also an inhibitor of enzymes in the vitamin K cycle. NAPQI is rapidly detoxified by glutathione (GSH), but in situations of GSH deficiency, excess NAPQI reacts with cysteine residues in proteins, causing cell death and toxicity in the liver .

HY-111278

Pyocyanin 2 Publications Verification Pyocyanine; Sanazin; Sanasin	Structural Classification Natural Products Microorganisms Source Classification	Reactive Oxygen Species (ROS) Bacterial Drug Metabolite Endogenous Metabolite
Pyocyanin (Pyocyanine) is a toxic, quorum sensing (QS) controlled metabolite produced by Pseudomonas aeruginosa. Pyocyanin is a REDOX active compound that promotes the production of reactive oxygen species (ROS). Pyocyanin has antibacterial and anti-inflammatory activity .

HY-N11678

Deoxynivalenol-3-β-D-glucoside DON-3-β-D-glucoside; Deoxynivalenol 3-glucoside	Natural Products Microorganisms Source Classification	Drug Metabolite
Deoxynivalenol-3-β-D-glucoside (DON-3-β-D-glucoside) is a plant metabolite of the Fusarium mycotoxin Deoxynivalenol (HY-N6684). Deoxynivalenol-3-β-D-glucoside exhibits lower toxicity than Deoxynivalenol in vitro and in vivo .

HY-N6786

Ochratoxin B	Structural Classification Monophenols Microorganisms Classification of Application Fields Coumarins Phenols Phenylpropanoids Disease Research Fields Source Classification Cancer	Endogenous Metabolite
Ochratoxin B is an orally active secondary metabolite of Aspergillus ochraceus and non-chlorinated analog of the mycotoxin Ochratoxin A. Ochratoxin B reduces the toxic effects of Ochratoxin A (HY-N6788). Ochratoxin B inhibits cell division. Ochratoxin B causes craniofacial malformations in Xenopus laevis embryos .

HY-Y1009

Methoxyacetic acid	Classification of Application Fields Ketones, Aldehydes, Acids Metabolic Disease Endogenous metabolite Disease Research Fields Source Classification	Endogenous Metabolite
Methoxyacetic acid is a metabolite of ethylene glycol monomethyl ether. When the concentration of methoxyacetic acid reaches a certain level, it can inhibit the respiratory function of hepatic mitochondria and testicular mitochondria. Methoxyacetic acid is somewhat toxic .

HY-N10508

Calcitroic acid	Ketones, Aldehydes, Acids Endogenous metabolite	Drug Metabolite VD/VDR
Calcitroic acid is a vitamin D receptor (VDR) agonist that can activate VDR-mediated transcription. Calcitroic acid is the main metabolite of 1,25-dihydroxyvitamin D3, with the highest concentrations found in the liver and mucosa of mice, and it has metabolic stability and very low toxicity .

HY-N11576

Secalonic acid D	Natural Products Microorganisms Classification of Application Fields Sunscreen Cosmetic Research Disease Research Fields Cancer Source Classification	Apoptosis GSK-3 c-Myc β-catenin
Secalonic acid D is a toxic compound against tumor cells. Secalonic acid D can be isolated from the metabolites of Aspergillus aculeatus. Secalonic acid D activates GSK3-β, and degrades β-catenin. Thus, Secalonic acid D down-regulates c-Myc expression, arrests cell cycle at G1 phase, induces cell apoptosis .

HY-N6683

15-Acetyl-deoxynivalenol	other families Classification of Application Fields Ketones, Aldehydes, Acids Plants Disease Research Fields Source Classification Cancer	Drug Metabolite
15-Acetyl-deoxynivalenol is a highly toxic trichothecene found in cereals, and a metabolite of deoxynivalenol, exhibits toxicity to HepG2 cells .

HY-N9484

Menthofuran, 84%	Natural Products Classification of Application Fields Labiatae Other Diseases Erythrina poeppigiana Plants Disease Research Fields Source Classification	Drug Metabolite
Menthofuran is a proximate toxic metabolite of (R)-(+)-Pulegone. Menthofuran regulates essential oil biosynthesis in peppermint by controlling a downstream monoterpene reductase .

HY-100978

(±)-Hexanoylcarnitine chloride DL-Hexanoylcarnitine chloride	Classification of Application Fields Ketones, Aldehydes, Acids Metabolic Disease Endogenous metabolite Disease Research Fields Source Classification	Endogenous Metabolite
(±)-Hexanoylcarnitine chloride is a fatty acid metabolite that breaks down fatty acids into energy that can be used by the body. (±)-Hexanoylcarnitine chloride also serves as a specific and easily detectable biomarker for rat skeletal muscle toxicity. Cerivastatin (HY-129458) and TMPD (HY-W012145) induce an increase in Hexanoylcarnitine in rats in a metabolomic analysis of the rectus femoris muscle. In type 2 diabetes, Hexanoylcarnitine is also significantly associated with and improves prediction of all-cause mortality. Hexanoylcarnitine is a biomarker for the identification of novel pathogenic pathways .

HY-W001953

2-Naphthalenemethanol	Structural Classification Natural Products Classification of Application Fields Other Diseases Endogenous metabolite Disease Research Fields Source Classification	Environmental Pollutants Endogenous Metabolite
2-Naphthalenemethanol is the metabolite of environmental pollutant 2-methylnaphthalene. 2-Naphthalenemethanol covalently binds to alveolar protein and induces pulmonary toxicity .

HY-N16394

4-Hydroxyscytalone	Structural Classification Natural Products Microorganisms Source Classification	Endogenous Metabolite
4-Hydroxyscytalone (Compound 3) is a microbial secondary metabolite. 4-Hydroxyscytalone can be isolated from the oak fungus Diplodia corticola. 4-Hydroxyscytalone has toxicity against Artemia salina with a LC50 of 90.6 μ/mL, but no significant antifungal activity. 4-Hydroxyscytalone can be used for cancer therapy research .

HY-111278R

Pyocyanin (Standard) Pyocyanine (Standard); Sanazin (Standard); Sanasin (Standard)	Microorganisms Source Classification	Reference Standards Reactive Oxygen Species (ROS) Bacterial Drug Metabolite Endogenous Metabolite
Pyocyanin (Standard) is the analytical standard of Pyocyanin. This product is intended for research and analytical applications. Pyocyanin (Pyocyanine) is a toxic, quorum sensing (QS) controlled metabolite produced by Pseudomonas aeruginosa. Pyocyanin is a REDOX active compound that promotes the production of reactive oxygen species (ROS). Pyocyanin has antibacterial and anti-inflammatory activity[1][2][3][4].

HY-N17272

Cholic acid 3-sulfate	Structural Classification Endogenous metabolite Steroids Source Classification	Drug Metabolite
Cholic acid 3-sulfate is the sulfated metabolite of Cholic acid (HY-N0324), produced by liver enzyme sulfotransferase-2A1. Cholic acid 3-sulfate is less toxic than the parent compound, thus serving as a detoxification pathway for bile acids. Cholic acid 3-sulfate does not have the effect of stimulating intestinal secretion .

HY-N6720

T-2 Triol	Microorganisms Classification of Application Fields Terpenoids Sesquiterpenes Metabolic Disease Endogenous metabolite Disease Research Fields Source Classification	Endogenous Metabolite
T-2 Triol is a trichothecene mycotoxin derived by the metabolism of T-2 toxin. It is less toxic than T-2 toxin . T-2 Triol major metabolites are evaluated in broiler chickens with Half-lives (t_1/2λz), Peak plasma concentrations (C_max) and T_max values of 9.6 mins, 563 ng/ml , 2.5 mins, respectively .

HY-N6683R

15-Acetyl-deoxynivalenol (Standard)	other families Ketones, Aldehydes, Acids Plants Source Classification	Reference Standards Drug Metabolite
15-Acetyl-deoxynivalenol (Standard) is the analytical standard of 15-Acetyl-deoxynivalenol. This product is intended for research and analytical applications. 15-Acetyl-deoxynivalenol is a highly toxic trichothecene found in cereals, and a metabolite of deoxynivalenol, exhibits toxicity to HepG2 cells .

HY-N8400

Roridin L2	Microorganisms Classification of Application Fields Ketones, Aldehydes, Acids Other Diseases Disease Research Fields Source Classification	Endogenous Metabolite
Roridin L2, a fungal metabolite, is a biosynthetic precursor of Satratoxin G. Roridin L2 possesses little in vitro or in vivo toxic activity .

HY-N10270

Verrucofortine	Alkaloids Microorganisms Classification of Application Fields Other Diseases Disease Research Fields Indole Alkaloids Source Classification	Endogenous Metabolite
Verrucofortine, a fungal metabolite, is an alkaloid derived from tryptophan and leucine .

HY-Y1009R

Methoxyacetic acid (Standard)	Structural Classification Ketones, Aldehydes, Acids Endogenous metabolite Source Classification	Reference Standards Endogenous Metabolite
Methoxyacetic acid is a metabolite of ethylene glycol monomethyl ether. When the concentration of methoxyacetic acid reaches a certain level, it can inhibit the respiratory function of hepatic mitochondria and testicular mitochondria. Methoxyacetic acid is somewhat toxic .

HY-N16484

Trichodesmine N-oxide	Structural Classification Alkaloids Other Alkaloids Plants Trichodesma incanum (Bunge) A.DC. Boraginaceae Source Classification	Others
Trichodesmine N-oxide is the oxidized form of a pyrrolizidine alkaloid (PA) that can be isolated from the sunn hemp (Crotalaria juncea) teas. PAs are secondary metabolites in plants, which may exhibit toxicity and carcinogenicity .

HY-118793

Inosine oxime 6-Hydroxyadenosine	Natural Products Classification of Application Fields Other Diseases Endogenous metabolite Disease Research Fields Source Classification	Endogenous Metabolite
Inosine oxime (6-Hydroxyadenosine) is an endogenous metabolite in the course of cell metabolism by cytochrome P450, by oxidative stress or by deviating nucleotide biosynthesis. Inosine oxime has toxic and mutagenic for procaryotic and eucaryotic cells .

HY-N15717

(erythro) 1′,2′-Dihydroxyasarone	Natural Products Araceae Acorus gramineus Soland. Plants Source Classification	Drug Metabolite
(erythro) 1′,2′-Dihydroxyasarone is a metabolite of Beta-asarone (HY-N1501) and can also be isolated from the roots of Acorus tatarinowii. (erythro) 1′,2′-Dihydroxyasarone can form glucuronic acid conjugates in vivo and be excreted in urine. (erythro) 1′,2′-Dihydroxyasarone can serve as a marker for the metabolism and toxic risk assessment of Beta-asarone .

HY-N6786R

Ochratoxin B (Standard)	Structural Classification Monophenols Microorganisms Coumarins Phenols Phenylpropanoids Source Classification	Endogenous Metabolite Reference Standards
Ochratoxin B (Standard) is the analytical standard of Ochratoxin B (HY-N6786). This product is intended for research and analytical applications. Ochratoxin B is an orally active secondary metabolite of Aspergillus ochraceus and non-chlorinated analog of the mycotoxin Ochratoxin A. Ochratoxin B reduces the toxic effects of Ochratoxin A (HY-N6788). Ochratoxin B inhibits cell division. Ochratoxin B causes craniofacial malformations in Xenopus laevis embryos .

HY-123647

Satratoxin H	Structural Classification Natural Products Microorganisms Source Classification	Endogenous Metabolite p38 MAPK JNK Caspase PARP ERK Apoptosis Reactive Oxygen Species (ROS)
Satratoxin H is a toxic metabolite of Stachybotrys atra. Satratoxin H induces caspase-3 and PARP cleavage via p38 MAPK and JNK pathways, stimulates JNK, ERK, and p38 MAPK phosphorylation, and activates JNK and p38 MAPK in a glutathione-sensitive manner. Satratoxin H induces DNA double-stranded breaks, apoptotic body formation, intracellular reactive oxygen species generation, and endoplasmic reticulum stress via ATF6, PERK, and IRE1 pathways. Satratoxin H can be used for the research of central nervous system disorders and melanoma .

HY-W017464R

NAPQI (Standard) N-Acetyl-4-benzoquinone Imine (Standard)	Structural Classification Alkaloids Other Alkaloids Endogenous metabolite Source Classification	Drug Metabolite Reference Standards Endogenous Metabolite
NAPQI (Standard) is the analytical standard of NAPQI (HY-W017464). This product is intended for research and analytical applications. NAPQI is the toxic metabolite of Acetaminophen (HY-66005). NAPQI is also an inhibitor of enzymes in the vitamin K cycle. NAPQI is rapidly detoxified by glutathione (GSH), but in situations of GSH deficiency, excess NAPQI reacts with cysteine residues in proteins, causing cell death and toxicity in the liver .

HY-N15620

Altenin	Natural Products Microorganisms Source Classification	Endogenous Metabolite
Altenin is a phytopathologically-toxic metabolite from Alternaria Kikuchiana .

HY-W001953R

2-Naphthalenemethanol (Standard)	Structural Classification Natural Products Endogenous metabolite Source Classification	Reference Standards Endogenous Metabolite
2-Naphthalenemethanol is the metabolite of environmental pollutant 2-methylnaphthalene. 2-Naphthalenemethanol covalently binds to alveolar protein and induces pulmonary toxicity .

HY-W727391

β-Calacorene	Structural Classification Terpenoids Sesquiterpenes Myrtaceae Plants Psidium cattleianum Source Classification	Drug Metabolite
β-calacorene is an essential oil metabolite. β-calacorene shows AMES toxicity or mutagenic potential. β-calacorene can be used in the research of Staphylococcus aureus infections.

Cat. No.	Product Name	Chemical Structure

HY-125348S

6α-Hydroxy Paclitaxel-d5

6α-Hydroxy Paclitaxel-d₅ is the deuterium labeled 6α-Hydroxy paclitaxel. 6α-Hydroxy paclitaxel is one of the main metabolites of Paclitaxel (PTX) (HY-B0015), and it is generated by the liver cytochrome P450 enzyme CYP2C8. 6α-Hydroxy paclitaxel has bone marrow toxicity, but it can enhance the cytotoxicity of PTX against leukemia cells without causing cell toxicity. 6α-Hydroxy paclitaxel can be used in leukemia research.

HY-W008719S

MPP+-d3iodide

MPP+-d₃ (iodide) is deuterium labeled MPP+ (iodide). MPP+ iodide, a toxic metabolite of the neurotoxin MPTP, causes symptom of Parkinson's disease in animal models by selectively destroying dopaminergic neurons in substantia nigra. MPP+ iodide is taken up by the dopamine transporter into dopaminergic neurons where it exerts its neurotoxic action on mitochondria by affecting complex I of the respiratory chain. MPP+ iodide is also a high affinity substrate for the serotonin transporter (SERT) .

HY-N6683S1

15-Acetyl-deoxynivalenol-13C17
15-Acetyl-deoxynivalenol- ¹³C₁₇ is the ¹³C labeled 15-Acetyl-deoxynivalenol (HY-N6683) . 15-Acetyl-deoxynivalenol is a highly toxic trichothecene found in cereals, and a metabolite of deoxynivalenol, exhibits toxicity to HepG2 cells .

HY-W744265

NAPQI-d3

NAPQI-d₃ (N-Acetyl-4-benzoquinone Imine-d₃) is the deuterium labeled NAPQI (HY-W017464). NAPQI is the toxic metabolite of Acetaminophen (HY-66005). NAPQI is also an inhibitor of enzymes in the vitamin K cycle. NAPQI is rapidly detoxified by glutathione (GSH), but in situations of GSH deficiency, excess NAPQI reacts with cysteine residues in proteins, causing cell death and toxicity in the liver .

HY-Y1009S

Methoxyacetic acid-d3
Methoxyacetic acid-d₃ is the deuterium labeled Methoxyacetic acid (HY-Y1009). Methoxyacetic acid is a metabolite of ethylene glycol monomethyl ether. When the concentration of methoxyacetic acid reaches a certain level, it can inhibit the respiratory function of hepatic mitochondria and testicular mitochondria. Methoxyacetic acid is somewhat toxic .

HY-W653919

SN-38 glucuronide-d3
SN-38 glucuronide-d₃ is deuterium labeled SN-38 glucuronide. SN-38 glucuronide is an inactive metabolite of the anticancer active molecule Irinotecan (HY-16562) and has toxic effects on the gastrointestinal tract. Irinotecan is a topoisomerase I inhibitor which can be used for researching colon and rectal cancer .

HY-133668S

Monoethyl phthalate-d4

Monoethyl phthalate-d₄ is the deuterium labeled Monoethyl phthalate. Monoethyl phthalate is an orally active PDX-1 activator and the major hydrolytic metabolite of Diethyl phthalate (HY-Y0284) in vivo, with reproductive toxicity. Monoethyl phthalate targets aromatase (aromatase/CYP19A1) and PPAR to induce cell proliferation. The plasma protein binding rate of Monoethyl phthalate in rats and humans is lower than that of Diethyl phthalate. It exhibits significant enterohepatic circulation in rats and mainly accumulates in liver tissues. Monoethyl phthalate shows no estrogenic activity in estrogen-dependent human breast cancer cells. Monoethyl phthalate can be used in studies of reproductive toxicity and related environmental endocrine disruption mechanisms .

HY-N6786S

Ochratoxin B-13C20
Ochratoxin B- ¹³C₂₀ is ¹³C-labeled Ochratoxin B (HY-N6786). Ochratoxin B is an orally active secondary metabolite of Aspergillus ochraceus and non-chlorinated analog of the mycotoxin Ochratoxin A. Ochratoxin B reduces the toxic effects of Ochratoxin A (HY-N6788). Ochratoxin B inhibits cell division. Ochratoxin B causes craniofacial malformations in Xenopus laevis embryos .

HY-W778179

Benoxaprofen-13C,d3

Benoxaprofen- ¹³C, d₃ is the ¹³C-labeled Benoxaprofen (HY-13568). Benoxaprofen (LRCL 3794) is a nonsteroidal anti-inflammatory agent that blocks the biosynthesis of inflammatory mediators such as leukotrienes and prostaglandins by inhibiting 5-LOX, PGH2 synthase and cytochrome P-450. Benoxaprofen exhibits significant toxicity: it not only alters cellular redox status, uncouples oxidative phosphorylation and disrupts calcium ion homeostasis, but also causes liver injury through the formation of covalent adducts between its active metabolites and hepatic proteins. Benoxaprofen shows strong phototoxicity under ultraviolet irradiation, and induces erythrocyte lysis, mast cell degranulation and histamine release. Benoxaprofen is widely used in studies of urticaria and related phototoxic mechanisms .

HY-N10508S

Calcitroic acid-13C
Calcitroic acid- ¹³C is the ¹³C-labeled Calcitroic acid (HY-N10508). Calcitroic acid is a vitamin D receptor (VDR) agonist that can activate VDR-mediated transcription. Calcitroic acid is the main metabolite of 1,25-dihydroxyvitamin D3, with the highest concentrations found in the liver and mucosa of mice, and it has metabolic stability and very low toxicity .

HY-W724345

Fomepizole-d2

Fomepizole-d₂ (4-Methylpyrazole-d₂) is the deuterium labeled Fomepizole (HY-B0876). Fomepizole (4-Methylpyrazole) is a potent cytochrome P450 (CYP2E1) inhibitor. Fomepizole is a competitive inhibitor of the enzyme alcohol dehydrogenase. Fomepizole blocks further conversion of methanol and ethylene glycol to toxic metabolites. Fomepizole has the potential for an antidote for ethylene glycol or methanol poisoning .

HY-N11678S

Deoxynivalenol-3-β-D-glucoside-13C15
Deoxynivalenol-3-β-D-glucoside- ¹³C₁₅ (DON-3-β-D-glucoside- ¹³C₁₅) is the ¹³C-labeled Deoxynivalenol-3-β-D-glucoside. Deoxynivalenol-3-β-D-glucoside (DON-3-β-D-glucoside) is a plant metabolite of the Fusarium mycotoxin Deoxynivalenol (HY-N6684). Deoxynivalenol-3-β-D-glucoside exhibits lower toxicity than Deoxynivalenol in vitro and in vivo .

Cat. No.	Product Name		Classification

HY-132588

Lumasiran ALN-G01		siRNAs siRNA drugs
Lumasiran (ALN-G01), a siRNA product, reduces hepatic oxalate production by targeting glycolate oxidase. By silencing the gene encoding glycolate oxidase, Lumasiran depletes glycolate oxidase and thereby inhibits the synthesis of oxalate, which is the toxic metabolite that is directly associated with the clinical manifestations of Primary hyperoxaluria type 1 (PH1) .

HY-132613

Lumasiran sodium		siRNAs siRNA drugs
Lumasiran sodium, an investigational RNA interference (RNAi) therapeutic agent, reduces hepatic oxalate production by targeting glycolate oxidase. Lumasiran sodium reduces urinary oxalate excretion, the cause of progressive kidney failure in primary hyperoxaluria type 1 (PH1) .

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