BMS-770767 , CAS No.1875067-34-7

CAS: 1875067-34-7 Cat. No.: B651972 Formula: C₁₉H₁₈ClN₃O₂ Molecular Weight: 355.82 PubChem CID: 57809036

Synonyms

Bicyclo(2.2.1)heptan-1-ol, 4-(8-(2-chlorophenoxy)-1,2,4-triazolo(4,3-a)pyridin-3-yl)- | SCHEMBL20456970 | 1875067-34-7 | 4-(8-(2-Chlorophenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)bicyclo[2.2.1]heptan-1-ol | AKOS040748015 | PD132964 | SCHEMBL10158329 | 4-[

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BMS-770767 is an 11β-hydroxysteroid dehydrogenase 1 ( 11β-HSD1 ) inhibitor in type 2 diabetes. 11β-HSD1 is an important enzyme that is widely expressed in liver, adipose tissue and other tissues and plays an important role in metabolic diseases such as diabetes and obesity.

Specifications

Synonyms

Bicyclo(2.2.1)heptan-1-ol, 4-(8-(2-chlorophenoxy)-1,2,4-triazolo(4,3-a)pyridin-3-yl)- | SCHEMBL20456970 | 1875067-34-7 | 4-(8-(2-Chlorophenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)bicyclo[2.2.1]heptan-1-ol | AKOS040748015 | PD132964 | SCHEMBL10158329 | 4-[

Biochemical and Physiological Mechanisms

BMS-770767 is an 11β-hydroxysteroid dehydrogenase 1 ( 11β-HSD1 ) inhibitor in type 2 diabetes. 11β-HSD1 is an important enzyme that is widely expressed in liver, adipose tissue and other tissues and plays an important role in metabolic diseases such as di

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

C1CC2(CCC1(C2)C3=NN=C4N3C=CC=C4OC5=CC=CC=C5Cl)O

IUPAC Name

4-[8-(2-chlorophenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol

InChIKey

HNXGIFYHJKEXNA-UHFFFAOYSA-N

INCHI

1S/C19H18ClN3O2/c20-13-4-1-2-5-14(13)25-15-6-3-11-23-16(15)21-22-17(23)18-7-9-19(24,12-18)10-8-18/h1-6,11,24H,7-10,12H2

Isomeric SMILES

C1CC2(CCC1(C2)C3=NN=C4N3C=CC=C4OC5=CC=CC=C5Cl)O

PubChem CID

57809036

Molecular Weight

355.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Triazolopyridines Phenol ethers Hydroxypyridines Dihydropyridines Chlorobenzenes Triazoles Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Vinyl chlorides Ethers Chloroalkenes Azacyclic compounds Amidines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic monoterpenoid - Triazolopyridine - Phenol ether - Hydroxypyridine - Halobenzene - Dihydropyridine - Chlorobenzene - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Triazole - Tertiary alcohol - Cyclic alcohol - Azole - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Ether - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

• Molecular Weight: 355.800 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 355.109 Da
• Monoisotopic Mass: 355.109 Da
• Topological Polar Surface Area: 59.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 511.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1