PK44 , CAS No.1017682-65-3

CAS: 1017682-65-3 Cat. No.: P1441921 PubChem CID: 46208486

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PK44 (Compound 67) is a potent dipeptidyl peptidase IV ( DPP-IV ) inhibitor with an IC 50 value of 15.8 nM. PK44 is promising for research of 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

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=C4C=CC(=C(C4=NN3)F)F)N
• IUPAC Name: (3R)-3-amino-4-(6,7-difluoro-2H-indazol-3-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
• InChIKey: LIPWZZYFIVYJSI-MRVPVSSYSA-N
• INCHI: 1S/C17H16F5N7O/c18-10-2-1-9-11(24-26-15(9)14(10)19)5-8(23)6-13(30)28-3-4-29-12(7-28)25-27-16(29)17(20,21)22/h1-2,8H,3-7,23H2,(H,24,26)/t8-/m1/s1
• Isomeric SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=C4C=CC(=C(C4=NN3)F)F)N
• PubChem CID: 46208486

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Triazolopyrazines Indazoles Aralkylamines Aryl fluorides Benzenoids Pyrazines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Pyrazoles Tertiary amines Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Monoalkylamines Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta amino acid or derivatives - Benzopyrazole - Indazole - Triazolopyrazine - Aralkylamine - Aryl fluoride - Aryl halide - Pyrazine - Benzenoid - 1,2,4-triazole - Triazole - Tertiary carboxylic acid amide - Pyrazole - Heteroaromatic compound - Azole - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Primary amine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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