A-953227 , CAS No.1037826-77-9

CAS: 1037826-77-9 Cat. No.: A1443204 PubChem CID: 66720197

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

A-953227 is a highly potent and selective inhibitor with the activity of inhibiting calcium-dependent esterase (calpain). A-953227 has enhanced selectivity for related cysteine proteases (cathepsins) and has shown good efficacy in cell experiments. A-953227 has shown broad efficacy in preclinical models for Alzheimer's disease, suggesting that it has potential benefits in inhibiting Alzheimer's disease.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CC(C(=O)C(=O)N)NC(=O)C2=C(N=CC=C2)N3C=CC(=N3)C4=CC=C(C=C4)F
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
• InChIKey: CJFKGISBMQMNDQ-UHFFFAOYSA-N
• INCHI: 1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34)
• Isómeros SMILES: C1=CC=C(C=C1)CC(C(=O)C(=O)N)NC(=O)C2=C(N=CC=C2)N3C=CC(=N3)C4=CC=C(C=C4)F
• CAS alternativo: 1037826-77-9
• PubChem CID: 66720197

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Phenylpyrazoles Amphetamines and derivatives Nicotinamides Fluorobenzenes Fatty amides Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Ketones Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - 2-pyrazolylpyridine - Amphetamine or derivatives - Nicotinamide - Pyridine carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Vinylogous amide - Primary carboxylic acid amide - Ketone - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
• 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