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

CAS: 1371587-51-7 Cat. No.: C650768 Peso molecular: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Alcohol dehydrogenase class III inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 3.7

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)O)Cl)C2=NC3=C(C=C2)C=C(C=C3)O
• PubChem CID: 56960912
• Peso molecular: 299.71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 50 mg/mL (166.83 mM; Need ultrasonic)
• Peso molecular: 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