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NMR spectroscopy

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By Targets:	Amylases (1) Antibiotic (1) Bacterial (4) Biochemical Assay Reagents (2) Calcium Channel (1) Drug Derivative (7) Drug Intermediate (2) Drug Metabolite (1) Endogenous Metabolite (1) MEK (1) p38 MAPK (1)
By Research Areas:	Cancer (5) Cardiovascular Disease (1) Infection (4) Inflammation/Immunology (3) Metabolic Disease (4) Neurological Disease (2)

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Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-P10486

AIP-II	Bacterial	Infection
AIP-II is a cyclic peptide signaling molecule for quorum sensing, which is produced by Staphylococcus aureus. AIP-II potently inhibits AgrC-III in Methicillin (HY-121544)-resistant type III Staphylococcus aureus strain AH1747, with an IC50 of 0.532 nM. AIP-II binds to the AgrC-II receptor and regulates virulence gene expression in Staphylococcus aureus .

HY-128747A

α-D-Glucose-1-phosphate disodium hydrate	Drug Derivative Drug Intermediate Antibiotic	Cardiovascular Disease Inflammation/Immunology
α-D-Glucose-1-phosphate disodium hydrate is a derivative of D-glucose (HY-B0389). α-D-Glucose-1-phosphate disodium hydrate serves as a starting material for glucuronic acid synthesis. Glucuronic acid acts as a Ca ²⁺ chelator and also functions as a biosynthetic substrate for the production of linear maltooligosaccharides or α,α-trehalose. α-D-Glucose-1-phosphate disodium hydrate can be used as a cytostatic compound, Antibiotic, and immunosuppressant essential for heart disease management. α-D-Glucose-1-phosphate disodium hydrate is applicable to the research of heart disease .

HY-N8215

Achyranthoside C	Drug Intermediate	Others
Achyranthoside C is a triterpenoid saponin found in the roots of Achyranthese bidentata Bl. .

HY-W004078

4-Hydroxybenzylamine	Endogenous Metabolite	Metabolic Disease
4-Hydroxybenzylamine is a natural biogenic amine. 4-Hydroxybenzylamine can be produced through the breakdown metabolism of glucosinolates, with glutamine serving as the non-classical ammonia donor. 4-Hydroxybenzylamine can be utilized for the study of plant amine biosynthesis .

HY-N4012

Indole-3-glyoxylamide 3-Indoleglyoxamide	Others	Others
Indole-3-glyoxylamide (Compound 4) is a type of indole alkaloid. Indole-3-glyoxylamide shows no significant cytotoxic activity against Hela, Ishikawa, and MGC-803 cells .

HY-N1156

Thevetin B	Others	Others
Thevetin B (compound 1) is a betalain isolated from Thevetia peruviana .

HY-Y0661

4-Methylbenzyl cyanide	Biochemical Assay Reagents	Others
4-Methylbenzyl cyanide is an organic chemical probe used to study intramolecular rotation properties. 4-Methylbenzyl cyanide is promising for research of NMR spectroscopy and physical chemistry research on molecular dynamics .

HY-N16587

Dehydro-γ-tocopherol	Others	Inflammation/Immunology
Dehydro-γ-tocopherol is a naturally occurring chromanol compound found in the Stemona, and it exhibits significant antioxidant activity .

HY-N16580

(+)-Lariciresinol 9′-p-coumarate	Others	Cancer
(+)-Lariciresinol 9′-p-Coumarate is a type of lignan. (+)-Lariciresinol 9′-p-Coumarate exhibits inhibitory activity against leukemia and other tumor cell lines .

HY-N16836

Diplomorphanin A Farrerol 4',7-di-O-β-D-glucopyranoside	Others	Others
Diplomorphanin A (Farrerol 4',7-di-O-β-D-glucopyranoside) is a C-methylated flavonoid compound that can be found in Diplomorpha canescens. Diplomorpha canescens exhibits anti-tumor activity .

HY-120410

DL-4662	Biochemical Assay Reagents	Neurological Disease
DL-4662 is a 3,4-dimethoxy derivative that can be identified using techniques such as, GC-EI-MS, LC-tandem mass spectrometry and NMR spectroscopy .

HY-111333

Pyrroxamycin Dioxapyrrolomycin; LL-F42248α; AL-R2081	Bacterial	Infection
Pyrroxamycin is a novel antibiotic produced by Streptomyces, whose chemical structure was determined by chemical properties and X-ray crystallography and 13C NMR spectroscopy analysis. It is active against Gram-positive bacteria and dermatophytes. In this paper, the authors discuss the taxonomy, fermentation, isolation, physicochemical properties, chemical structure, and biological activity of the strain producing Pyrroxamycin.

HY-119387

Chevalone B	Bacterial	Infection
Chevalone B was isolated from the ethyl acetate extract of the marine sponge-associated fungus Aspergillus similanensis. The structure of Chevalone B was confirmed by 1D and 2D NMR spectroscopy. Chevalone B showed antimicrobial activity against Gram-positive and Gram-negative bacteria, Candida albicans, and multidrug-resistant strains from the environment. Studies on Chevalone B have shown its potential value in antimicrobial applications.

HY-N9900

Demethyldaphnoretin-7-O-glucoside Demethyldaphnoretin-7-O-β-D-glucopyranoside	Others	Others
Demethyldaphnoretin-7-O-β-Dglucopyranoside (Demethyldaphnoretin-7-O-glucoside)(compound 1) is a natural product isolated from the ethyl acetate fraction of the roots of Daphne oleoides .

HY-118626

PD-254552	MEK p38 MAPK	Cancer
PD-254552 is a MEK inhibitor. PD-254552 exhibits hepatotoxicity and gastrointestinal toxicity in mice .

HY-156731

(8R,8'R)-Matairesinol 4,4'-di-O-β-D-glucopyranoside	Others	Others
(8R,8'R)-Matairesinol 4,4'-di-O-β-D-glucopyranoside (MDG) is a natural product isolated from Trachelospermum asiaticum .

HY-179762

16:0 Tempo PC	Others	Metabolic Disease
16:0 Tempo PC is a phosphocholine with a TEMPO group. (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO) is commonly used as a spin-label for lipid membrane studies. TEMPO alwayss acts as a spin probe are in electron resonance spectroscopy, as a paramagnetic contrast agent in NMR, and as oxygen-sensitive probes in biological systems.

HY-179880

16:0-18:1 Tempo PC	Others	Metabolic Disease
16:0-18:1 Tempo PC is a phosphocholine with a TEMPO group. (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO) is commonly used as a spin-label for lipid membrane studies. TEMPO alwayss acts as a spin probe are in electron resonance spectroscopy, as a paramagnetic contrast agent in NMR, and as oxygen-sensitive probes in biological systems.

HY-N17874

(2R,3R)-Taxifolin-3-O-α-L-arabinopyranoside	Drug Derivative	Others
(2R,3R)-Taxifolin-3-O-α-L-arabinopyranoside is a flavonoid glycoside found in the stems and leaves of Rhododendron anthopogonoides .

HY-N17981

(-)-Isorhamnetin 3-O-robinobioside	Drug Derivative	Others
(-)-Isorhamnetin 3-O-robinobioside (compound 6) is a flavonol glycoside. (-)-Isorhamnetin 3-O-robinobioside can be found in the aerial parts of Anthyllis sericea (Leguminosae) .

HY-N16581

Gnetucleistol C	Others	Others
Gnetucleistol C is a type of dihydroquercetin compound, which can be found in the plants Gnetum cleistostachyum and Gnetum microcarpum .

HY-N17956

3,5,7,8,4'-Pentamethoxyflavone	Others	Others
3,5,7,8,4'-Pentamethoxyflavone (Compound 2) is a polymethoxylated flavone found in the leaves of Micromelum compressum .

HY-N18181

Tamarixetin 7-O-rutinoside	Others	Others
Tamarixetin 7-O-rutinoside is a flavonoid glycoside found in the flowers of Verbascum phlomoides L. .

HY-W802310

2,5-Dihydroxycinnamic acid	Drug Derivative	Others
2,5-Dihydroxycinnamic acid is a phenolic acid. 2,5-Dihydroxycinnamic acid can be found in the leaves of Grevillea robusta A. Cunn .

HY-N18049

Decussatin	Amylases	Metabolic Disease
Decussatin is an α-Amylases inhibitor isolated from the Tibetan medicinal plant Swertia mussotii. By inhibiting the catalytic activity of α-Amylases, Decussatin reduces the hydrolysis of complex carbohydrates such as starch and the intestinal absorption of glucose, thereby lowering blood glucose levels in the body. Decussatin shows no significant in vitro antibacterial or antifungal activity. Decussatin can be used for the research of type 2 diabetes .

HY-W069974

Ca2+ -Langerin-IN-1	Calcium Channel	Inflammation/Immunology
Ca2+-Langerin-IN-1 (Compound 3) is a allosteric Langerin inhibitor. Langerin is a C-type lectin that is expressed on Langerhans cells and plays a crucial role in pathogen recognition and innate immune activation. The K_D value of the CRD domain of murine Langerin protein for Ca2+-Langerin-IN-1 is 17 μM under the presence of Ca²⁺ and 53 μM under the absence of Ca²⁺ competition. Ca2+-Langerin-IN-1 induces conformational changes and competitively replaces Ca²⁺, thereby inhibiting the carbohydrate recognition function of the protein. Ca2+-Langerin-IN-1 can be used in the research of immunomodulatory therapy .

HY-180463

Rubradirin aglycone	Drug Metabolite	Others
Rubradirin aglycone (Compound 7) is an aglycone of Rubradirin and can be obtained by mild acid hydrolysis of Rubradirin .

HY-N18378

Altissimacoumarin K	Others	Cancer
Altissimacoumarin K is a terpenylated coumarin. Altissimacoumarin K can be isolated from the root bark of Ailanthus altissima (Mill.) Swingle. Altissimacoumarin K exhibits no significant cytotoxic effect against hepatoma cells .

HY-N18253

Dehydroaromadendrane	Drug Derivative	Others
Dehydroaromadendrane is an aromadendrane derivative sesquiterpene .

HY-N17374

Laevigatin A	Others	Others
Laevigatin A (Compound 8) is a hydrolyzable tannin found in Rosa laevigata .

HY-N19224

Pulvinic acid dilactone	Drug Derivative Bacterial	Infection Neurological Disease Cancer
Pulvinic acid dilactone (Compound 1) is a pulvinic acid derivative and Antibacterial agent. Pulvinic acid dilactone can be isolated from the lichen Candelaria concolor. Pulvinic acid dilactone moderately inhibits the growth of Bacillus subtilis. Pulvinic acid dilactone exerts positive inotropic effects. Pulvinic acid dilactone can be used in studies related to Bacillus subtilis infections and leukemia .

HY-P11781A

Cys-HW12	Drug Derivative	Cancer
Cys-HW12 is a random peptide containing an N-terminal cysteine. Cys-HW12 can be coupled via the thiol group of Cys. Cys-HW12 can serve as a control for GE11 (HY-P10128)-conjugated mixed micelles targeting EGFR, and also functions as a cytotoxic agent, cellular uptake inhibitor, and tumor growth inhibitor. Cys-HW12 is applicable to pancreatic cancer-related research .

Cat. No.	Product Name	Target	Research Area

HY-P10486

AIP-II	Bacterial	Infection
AIP-II is a cyclic peptide signaling molecule for quorum sensing, which is produced by Staphylococcus aureus. AIP-II potently inhibits AgrC-III in Methicillin (HY-121544)-resistant type III Staphylococcus aureus strain AH1747, with an IC50 of 0.532 nM. AIP-II binds to the AgrC-II receptor and regulates virulence gene expression in Staphylococcus aureus .

HY-P11781A

Cys-HW12	Drug Derivative	Cancer
Cys-HW12 is a random peptide containing an N-terminal cysteine. Cys-HW12 can be coupled via the thiol group of Cys. Cys-HW12 can serve as a control for GE11 (HY-P10128)-conjugated mixed micelles targeting EGFR, and also functions as a cytotoxic agent, cellular uptake inhibitor, and tumor growth inhibitor. Cys-HW12 is applicable to pancreatic cancer-related research .

α-D-Glucose-1-phosphate disodium hydrate	Cardiovascular Disease Structural Classification Classification of Application Fields Endogenous metabolite Inflammation/Immunology Disease Research Fields Saccharides Monosaccharides Source Classification	Drug Derivative Drug Intermediate Antibiotic
α-D-Glucose-1-phosphate disodium hydrate is a derivative of D-glucose (HY-B0389). α-D-Glucose-1-phosphate disodium hydrate serves as a starting material for glucuronic acid synthesis. Glucuronic acid acts as a Ca ²⁺ chelator and also functions as a biosynthetic substrate for the production of linear maltooligosaccharides or α,α-trehalose. α-D-Glucose-1-phosphate disodium hydrate can be used as a cytostatic compound, Antibiotic, and immunosuppressant essential for heart disease management. α-D-Glucose-1-phosphate disodium hydrate is applicable to the research of heart disease .

Achyranthoside C	Triterpenes Structural Classification Classification of Application Fields Terpenoids Metabolic Disease Amaranthaceae Plants Achyranthes bidentata Disease Research Fields Source Classification	Drug Intermediate
Achyranthoside C is a triterpenoid saponin found in the roots of Achyranthese bidentata Bl. .

4-Hydroxybenzylamine	Monophenols other families Classification of Application Fields Phenols Metabolic Disease Plants Endogenous metabolite Disease Research Fields Source Classification	Endogenous Metabolite
4-Hydroxybenzylamine is a natural biogenic amine. 4-Hydroxybenzylamine can be produced through the breakdown metabolism of glucosinolates, with glutamine serving as the non-classical ammonia donor. 4-Hydroxybenzylamine can be utilized for the study of plant amine biosynthesis .

Indole-3-glyoxylamide 3-Indoleglyoxamide	Structural Classification Alkaloids Solanum melongena L. Solanaceae Plants Indole Alkaloids Source Classification	Others
Indole-3-glyoxylamide (Compound 4) is a type of indole alkaloid. Indole-3-glyoxylamide shows no significant cytotoxic activity against Hela, Ishikawa, and MGC-803 cells .

Thevetin B	Apocynaceae Structural Classification Cardiacglycosides Thevetia peruviana (Pers.) K. Schum. Plants Steroids Source Classification	Others
Thevetin B (compound 1) is a betalain isolated from Thevetia peruviana .

Dehydro-γ-tocopherol	Structural Classification Microorganisms Coumarins Phenylpropanoids Source Classification	Others
Dehydro-γ-tocopherol is a naturally occurring chromanol compound found in the Stemona, and it exhibits significant antioxidant activity .

(+)-Lariciresinol 9′-p-coumarate	Structural Classification Larix olgensis A. Henry Pinaceae Lignans Phenols Polyphenols Phenylpropanoids Plants Source Classification	Others
(+)-Lariciresinol 9′-p-Coumarate is a type of lignan. (+)-Lariciresinol 9′-p-Coumarate exhibits inhibitory activity against leukemia and other tumor cell lines .

Diplomorphanin A Farrerol 4',7-di-O-β-D-glucopyranoside	Structural Classification Flavonoids Thymelaeaceae Plants Other Flavonoids Wikstroemia canescens (Wall.) Meisn. Source Classification	Others
Diplomorphanin A (Farrerol 4',7-di-O-β-D-glucopyranoside) is a C-methylated flavonoid compound that can be found in Diplomorpha canescens. Diplomorpha canescens exhibits anti-tumor activity .

Pyrroxamycin Dioxapyrrolomycin; LL-F42248α; AL-R2081	Microorganisms Antibiotics Source Classification	Bacterial
Pyrroxamycin is a novel antibiotic produced by Streptomyces, whose chemical structure was determined by chemical properties and X-ray crystallography and 13C NMR spectroscopy analysis. It is active against Gram-positive bacteria and dermatophytes. In this paper, the authors discuss the taxonomy, fermentation, isolation, physicochemical properties, chemical structure, and biological activity of the strain producing Pyrroxamycin.

Chevalone B	Other Terpenoids Microorganisms Terpenoids Source Classification	Bacterial
Chevalone B was isolated from the ethyl acetate extract of the marine sponge-associated fungus Aspergillus similanensis. The structure of Chevalone B was confirmed by 1D and 2D NMR spectroscopy. Chevalone B showed antimicrobial activity against Gram-positive and Gram-negative bacteria, Candida albicans, and multidrug-resistant strains from the environment. Studies on Chevalone B have shown its potential value in antimicrobial applications.

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NMR spectroscopy

Inhibitors & Agonists

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