MK-0941 - ≥99% , Hexokinase type IV activator, CAS No.1137916-97-2, Hexokinase type IV activator

CAS: 1137916-97-2 Cat. No.: M647206 Molecular Weight: 556.61 PubChem CID: 25235800

GRADE & PURITY ≥99%

Synonyms

EX-A1851 | BCP25241 | MK 0941 | AKOS040733749 | 3-((6-(ethylsulfonyl)-3-pyridinyl)oxy)-5-((1S)-2-hydroxy-1-methylethoxy)-N-(1-methyl-1H-pyrazol-3-yl)benzamide | 3-(6-ethylsulfonylpyridin-3-yl)oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)be

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

MK-0941 is a potent, orally active and allosteric glucokinase activator, with EC 50 s of 240 and 65 nM for recombinant human glucokinase in the presence of 2.5 and 10 mM glucose, respectively. MK-0941 has potential in the treatment of type 2 diabetes

Form:Solid

IC50& Target:EC50: 240 nM (Recombinant human glucokinase, 2.5 mM glucose), 65 nM (Recombinant human glucokinase, 10 mM glucose)

Specifications

Synonyms

EX-A1851 | BCP25241 | MK 0941 | AKOS040733749 | 3-((6-(ethylsulfonyl)-3-pyridinyl)oxy)-5-((1S)-2-hydroxy-1-methylethoxy)-N-(1-methyl-1H-pyrazol-3-yl)benzamide | 3-(6-ethylsulfonylpyridin-3-yl)oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)be

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

MK-0941 is a potent, orally active and allosteric glucokinase activator, with EC 50 s of 240 and 65 nM for recombinant human glucokinase in the presence of 2.5 and 10 mM glucose, respectively. MK-0941 has potential in the treatment of type 2 diabetes

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Mechanism of action

Hexokinase type IV activator

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCS(=O)(=O)C1=NC=C(C=C1)OC2=CC(=CC(=C2)C(=O)NC3=NN(C=C3)C)OC(C)CO.CS(=O)(=O)O
• IUPAC Name: 3-(6-ethylsulfonylpyridin-3-yl)oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide;methanesulfonic acid
• InChIKey: PIDNRTWDGDJKSQ-UQKRIMTDSA-N
• INCHI: 1S/C21H24N4O6S.CH4O3S/c1-4-32(28,29)20-6-5-16(12-22-20)31-18-10-15(9-17(11-18)30-14(2)13-26)21(27)23-19-7-8-25(3)24-19;1-5(2,3)4/h5-12,14,26H,4,13H2,1-3H3,(H,23,24,27);1H3,(H,2,3,4)/t14-;/m0./s1
• Isomeric SMILES: CCS(=O)(=O)C1=NC=C(C=C1)OC2=CC(=CC(=C2)C(=O)NC3=NN(C=C3)C)O[C@@H](C)CO.CS(=O)(=O)O
• Alternate CAS: 1137916-97-2
• PubChem CID: 25235800
• MeSH Entry Terms: 3-((6-(ethylsulfonyl)-3-pyridinyl)oxy)-5-(2-hydroxy-1-methylethoxy)-N-(1-methyl-1H-pyrazol-3-yl)benzamide;MK 0941;MK-0941;MK0941
• Molecular Weight: 556.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Imidolactams Pyridines and derivatives Organosulfonic acids Methanesulfonates Heteroaromatic compounds Alkanesulfonic acids Sulfones Pyrazoles Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Diaryl ether - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Azole - Alkanesulfonic acid - Sulfonyl - Heteroaromatic compound - Methanesulfonate - Pyrazole - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organosulfur compound - Primary alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 260 mg/mL (467.11 mM; Need ultrasonic)
• Sensitivity: Moisture sensitive.
• Molecular Weight: 556.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 556.13 Da
• Monoisotopic Mass: 556.13 Da
• Topological Polar Surface Area: 204.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 810.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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