CCG258208 , CAS No.2055990-90-2

CAS: 2055990-90-2 Cat. No.: C1433501 PubChem CID: 126476626

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

CCG258208 (GRK2-IN-1) is a potent and selective GRK2 ( G protein-coupled receptor kinase 2 ) inhibitor ( IC 50 =30 nM) while maintaining 230-fold selectivity over GRK5 ( IC 50 =7.09 μM) and more than 2500-fold selectivity over GRK1 ( IC 50 =87.3 μM), PKA , and ROCK1. CCG258208 can be used in heart failure research.

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.

Nombres e identificadores

• Sonrisas canónicas: C1CNCC(C1C2=CC(=C(C=C2)F)C(=O)NCC3=CC=NN3)COC4=CC5=C(C=C4)OCO5
• IUPAC Name: 5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
• InChIKey: XQUKEAYUAYTIBV-LPHOPBHVSA-N
• INCHI: 1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1
• Isómeros SMILES: C1CNC[C@H]([C@@H]1C2=CC(=C(C=C2)F)C(=O)NCC3=CC=NN3)COC4=CC5=C(C=C4)OCO5
• PubChem CID: 126476626

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: 2-halobenzoic acids and derivatives Benzodioxoles Benzamides Benzoyl derivatives Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Vinylogous halides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Acetals Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzodioxole - Benzamide - Benzoyl - Aralkylamine - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous halide - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to 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