Cavosonstat - ≥98% , Alcohol dehydrogenase class III inhibitor, CAS No.1371587-51-7, Alcohol dehydrogenase class III inhibitor

CAS: 1371587-51-7 Cat. No.: C650768 Molecular Weight: 299.71 PubChem CID: 56960912

GRADE & PURITY ≥98%

Synonyms

Cavosonstat | SCHEMBL1289569 | N-91115 | 3-Chloro-4-(6-hydroxy-2-quinolinyl)benzoic acid | DB14775 | UNII-O2Z8Q22ZE4 | 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid | BXSZILNGNMDGSL-UHFFFAOYSA-N | Benzoic acid, 3-chloro-4-(6-hydroxy-2-quinolinyl)- | Q27

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cavosonstat (N91115) is an orally active S-nitrosoglutathione reductase (GSNOR) inhibitor. Cavosonstat is a CFTR stabilizer, and can be used for cystic fibrosis research.

Specifications

Synonyms

Cavosonstat | SCHEMBL1289569 | N-91115 | 3-Chloro-4-(6-hydroxy-2-quinolinyl)benzoic acid | DB14775 | UNII-O2Z8Q22ZE4 | 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid | BXSZILNGNMDGSL-UHFFFAOYSA-N | Benzoic acid, 3-chloro-4-(6-hydroxy-2-quinolinyl)- | Q27

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Cavosonstat (N91115) is an orally active S-nitrosoglutathione reductase (GSNOR) inhibitor. Cavosonstat is a CFTR stabilizer, and can be used for cystic fibrosis research.

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

Mechanism of action

Alcohol dehydrogenase class III inhibitor

Purity

≥98%

Product Properties

• ALogP: 3.7

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C(=O)O)Cl)C2=NC3=C(C=C2)C=C(C=C3)O
• IUPAC Name: 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
• InChIKey: BXSZILNGNMDGSL-UHFFFAOYSA-N
• INCHI: 1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21)
• Isomeric SMILES: C1=CC(=C(C=C1C(=O)O)Cl)C2=NC3=C(C=C2)C=C(C=C3)O
• PubChem CID: 56960912
• Molecular Weight: 299.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Hydroxyquinolines 3-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 2-phenylpyridine - Hydroxyquinoline - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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 : 50 mg/mL (166.83 mM; Need ultrasonic)
• Molecular Weight: 299.710 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 299.035 Da
• Monoisotopic Mass: 299.035 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 392.000
• 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