ABT-639 hydrochloride , CAS No.1235560-31-2

CAS: 1235560-31-2 Cat. No.: A1435904 Peso molecular: 455.913646 PubChem CID: 122180940

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

ABT-639 hydrochloride is a novel, peripherally acting, selective T-type Ca 2+ channel blocker.

Specifications

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

Nombres e identificadores

• Sonrisas canónicas: C1CC2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F.Cl
• IUPAC Name: 5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
• InChIKey: KZRCYRFDOFTBHY-BTQNPOSSSA-N
• INCHI: 1S/C20H20ClF2N3O3S.ClH/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26;/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2;1H/t13-;/m1./s1
• Isómeros SMILES: C1C[C@@H]2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F.Cl
• PubChem CID: 122180940
• Peso molecular: 455.913646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Fluorobenzenes N-alkylpiperazines N-alkylpyrrolidines Aryl fluorides Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Vinylogous halides Aminosulfonyl compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - N-alkylpiperazine - 1,4-diazinane - Aryl halide - Aryl fluoride - Aryl chloride - Piperazine - N-alkylpyrrolidine - Organosulfonic acid amide - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Sulfonyl - Tertiary carboxylic acid amide - Vinylogous halide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrochloride - Amine - Organohalogen compound - Organochloride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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