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toxic assessment

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Akt (1) Apoptosis (1) Biochemical Assay Reagents (1) Caspase (1) Cholinesterase (ChE) (3) Drug Intermediate (1) Drug Metabolite (1) Environmental Pollutants (3) Insecticide (3) Isotope-Labeled Compounds (1) p38 MAPK (1) Parasite (3) PI3K (1) Reactive Oxygen Species (ROS) (1) Reference Standards (1) TGF-beta/Smad (1)
By Research Areas:	Cancer (1) Infection (4) Metabolic Disease (1)

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

Natural
Products

Isotope-Labeled Compounds

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-W075770

Nickel(II) oxide Nickel monoxide	Environmental Pollutants Apoptosis Reactive Oxygen Species (ROS) Caspase TGF-beta/Smad p38 MAPK Akt PI3K	Infection Metabolic Disease Cancer
Nickel(II) oxide (nickel monoxide) is a chemical warfare agent that can enter the body through the respiratory tract and other routes, distributing to organs such as the lungs and testes. The nanoparticle form of nickel(II) oxide (NiO NPs) exhibits antibacterial, anti-leishmanial, anti-diabetic, and anti-cancer activities. NiO NPs can be activated by ultraviolet and visible light, generating reactive oxygen species (ROS). Nickel(II) oxide induces oxidative stress by generating reactive oxygen species, activating the TGF-β1-mediated MAPK and PI3K/AKT pathways, disrupting the MMPs/TIMPs balance, and upregulating the expression of inflammatory factors (IL-1β, IL-6) and apoptosis-related molecules (Bax, caspase-3, p53), while inhibiting the activity of the anti-apoptotic molecule Bcl-2. Nickel(II) oxide induces cytotoxicity, promotes fibrosis, triggers inflammatory responses, and causes apoptosis. Nickel(II) oxide can be applied in research on the safety assessment of nanomaterials, such as in the context of pulmonary fibrosis and reproductive system toxicity .

HY-B2015

Carbosulfan	Environmental Pollutants Insecticide Parasite Cholinesterase (ChE)	Infection
Carbosulfan is an orally active AChE inhibitor that hydrolyzes to Carbofuran in organisms to exert insecticidal effects. Carbosulfan exhibits broad-spectrum insecticidal activity, and it also induces severe oxidative stress by enhancing lipid peroxidation and impairing the antioxidant defense system. Carbosulfan causes reproductive toxicity in male rats and developmental disorders in their offspring. Carbosulfan shows persistence in paddy field environments and potential hazards to non-target organisms, and it is commonly used in studies related to reproductive toxicity and environmental risk assessment .

HY-32952

2-Fluoropyridine-5-boronic acid 6-Fluoropyridine-3-boronic acid	Drug Intermediate	Others
2-Fluoropyridine-5-boronic acid (6-Fluoropyridine-3-boronic acid) is a drug intermediate that can be used in the synthesis of fatty acid amide hydrolase inhibitors and pyrethroid derivatives .

HY-W017562

γ-Octalactone	Environmental Pollutants Biochemical Assay Reagents	Others
γ-Octalactone is an aromatic lactone compound. γ-Octalactone has a strong fruity (similar to coconut) aroma and a sweet taste, and is commonly used in food, cosmetics and fragrances. γ-Octalactone is highly safe .

HY-N7402

Hexyl hexanoate	Others	Others
Hexyl hexanoate is a fruit aroma component with potential food and beverage additive activity. Hexyl hexanoate is found in alcoholic beverages and is used to blend fruit flavors. Hexyl hexanoate is present in many fruits, Parmesan cheese, alcoholic beverages, and black tea. Hexyl hexanoate is a volatile component produced as a result of fruit ripening. Toxicity assessments of hexyl hexanoate showed that it is not mutagenic and that exposure is below safety thresholds for repeated dose, reproduction, and local respiratory toxicity. Hexyl hexanoate is also below thresholds in skin sensitization assessments, and for phototoxicity and photosensitization, the results showed that it does not present a relevant risk. Hexyl hexanoate is considered non-persistent, non-bioaccumulative, and non-toxic according to the environmental criteria of the International Fragrance Association .

HY-N15717

(erythro) 1′,2′-Dihydroxyasarone	Drug Metabolite	Others
(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-B2015S

Carbosulfan-d18	Isotope-Labeled Compounds Parasite Insecticide Cholinesterase (ChE)	Infection
Carbosulfan-d₁₈ is the deuterium labeled Carbosulfan. Carbosulfan is an orally active AChE inhibitor that hydrolyzes to Carbofuran in organisms to exert insecticidal effects. Carbosulfan exhibits broad-spectrum insecticidal activity, and it also induces severe oxidative stress by enhancing lipid peroxidation and impairing the antioxidant defense system. Carbosulfan causes reproductive toxicity in male rats and developmental disorders in their offspring. Carbosulfan shows persistence in paddy field environments and potential hazards to non-target organisms, and it is commonly used in studies related to reproductive toxicity and environmental risk assessment .

HY-B2015R

Carbosulfan (Standard)	Reference Standards Parasite Insecticide Cholinesterase (ChE)	Infection
Carbosulfan (Standard) is the analytical standard of Carbosulfan. This product is intended for research and analytical applications. Carbosulfan is an orally active AChE inhibitor that hydrolyzes to Carbofuran in organisms to exert insecticidal effects. Carbosulfan exhibits broad-spectrum insecticidal activity, and it also induces severe oxidative stress by enhancing lipid peroxidation and impairing the antioxidant defense system. Carbosulfan causes reproductive toxicity in male rats and developmental disorders in their offspring. Carbosulfan shows persistence in paddy field environments and potential hazards to non-target organisms, and it is commonly used in studies related to reproductive toxicity and environmental risk assessment .

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.

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.

2-Fluoropyridine-5-boronic acid 6-Fluoropyridine-3-boronic acid	Biochemical Assay Reagents
2-Fluoropyridine-5-boronic acid (6-Fluoropyridine-3-boronic acid) is a drug intermediate that can be used in the synthesis of fatty acid amide hydrolase inhibitors and pyrethroid derivatives .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-W017562

γ-Octalactone	Carica papaya L. Structural Classification Ketones, Aldehydes, Acids Caricaceae Plants Source Classification	Environmental Pollutants Biochemical Assay Reagents
γ-Octalactone is an aromatic lactone compound. γ-Octalactone has a strong fruity (similar to coconut) aroma and a sweet taste, and is commonly used in food, cosmetics and fragrances. γ-Octalactone is highly safe .

HY-N7402

Hexyl hexanoate	Natural Products Animals Source Classification	Others
Hexyl hexanoate is a fruit aroma component with potential food and beverage additive activity. Hexyl hexanoate is found in alcoholic beverages and is used to blend fruit flavors. Hexyl hexanoate is present in many fruits, Parmesan cheese, alcoholic beverages, and black tea. Hexyl hexanoate is a volatile component produced as a result of fruit ripening. Toxicity assessments of hexyl hexanoate showed that it is not mutagenic and that exposure is below safety thresholds for repeated dose, reproduction, and local respiratory toxicity. Hexyl hexanoate is also below thresholds in skin sensitization assessments, and for phototoxicity and photosensitization, the results showed that it does not present a relevant risk. Hexyl hexanoate is considered non-persistent, non-bioaccumulative, and non-toxic according to the environmental criteria of the International Fragrance Association .

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 .

Cat. No.	Product Name	Chemical Structure

HY-B2015S

Carbosulfan-d18
Carbosulfan-d₁₈ is the deuterium labeled Carbosulfan. Carbosulfan is an orally active AChE inhibitor that hydrolyzes to Carbofuran in organisms to exert insecticidal effects. Carbosulfan exhibits broad-spectrum insecticidal activity, and it also induces severe oxidative stress by enhancing lipid peroxidation and impairing the antioxidant defense system. Carbosulfan causes reproductive toxicity in male rats and developmental disorders in their offspring. Carbosulfan shows persistence in paddy field environments and potential hazards to non-target organisms, and it is commonly used in studies related to reproductive toxicity and environmental risk assessment .

Carbosulfan-d18

Carbosulfan-d₁₈ is the deuterium labeled Carbosulfan. Carbosulfan is an orally active AChE inhibitor that hydrolyzes to Carbofuran in organisms to exert insecticidal effects. Carbosulfan exhibits broad-spectrum insecticidal activity, and it also induces severe oxidative stress by enhancing lipid peroxidation and impairing the antioxidant defense system. Carbosulfan causes reproductive toxicity in male rats and developmental disorders in their offspring. Carbosulfan shows persistence in paddy field environments and potential hazards to non-target organisms, and it is commonly used in studies related to reproductive toxicity and environmental risk assessment .

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toxic assessment

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

NaturalProducts

Isotope-Labeled Compounds

Natural
Products