PF-04279405 , CAS No.955881-01-3

CAS: 955881-01-3 Cat. No.: P1439041 Molecular Weight: 464.49 EC Number: 809-763-1 PubChem CID: 24768019

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PF-04279405 is a potent and full-acting glucokinase ( GK ) agonist ( EC 50 =23 nM). Glucokinase ( GK ) is an enzyme responsible for the conversion of glucose to glucose-6-phosphate and plays a key role in maintaining blood glucose homeostasis. PF-04279405 can be used in the research of type 2 diabetes.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Names and Identifiers

• Canonical Smiles: CC1(CC2=C(O1)C=C(C=C2OC3=CC(=C(C=C3)C(=O)N4CCC4)F)C(=O)NC5=NN(C=C5)C)C
• IUPAC Name: 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
• InChIKey: MDMLUBFZTGYEGP-UHFFFAOYSA-N
• INCHI: 1S/C25H25FN4O4/c1-25(2)14-18-20(33-16-5-6-17(19(26)13-16)24(32)30-8-4-9-30)11-15(12-21(18)34-25)23(31)27-22-7-10-29(3)28-22/h5-7,10-13H,4,8-9,14H2,1-3H3,(H,27,28,31)
• Isomeric SMILES: CC1(CC2=C(O1)C=C(C=C2OC3=CC(=C(C=C3)C(=O)N4CCC4)F)C(=O)NC5=NN(C=C5)C)C
• WGK Germany: 3
• PubChem CID: 24768019
• Molecular Weight: 464.49

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: 2-halobenzoic acids and derivatives Benzamides Coumarans Benzoyl derivatives Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Imidolactams Aryl fluorides Heteroaromatic compounds Vinylogous halides Tertiary carboxylic acid amides Pyrazoles Secondary carboxylic acid amides Azetidines Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Coumaran - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Vinylogous halide - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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