MK-8457 , CAS No.1312518-84-5

CAS: 1312518-84-5 Cat. No.: M1452544 PubChem CID: 53251506

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MK-8457 is a dual SYK/ZAP70 inhibitor. MK-8457 can be used for research of rheumatoid arthritis.

Specifications

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

Names and Identifiers

• Canonical Smiles: CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CN=C(S3)C4(CCC(C(C4)(C)C)C(=O)O)O
• IUPAC Name: (1S,4R)-4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
• InChIKey: LDDBKIFZPGDEND-WAIKUNEKSA-N
• INCHI: 1S/C24H25F3N4O3S/c1-13-8-14(10-15(9-13)30-21-28-7-5-18(31-21)24(25,26)27)17-11-29-20(35-17)23(34)6-4-16(19(32)33)22(2,3)12-23/h5,7-11,16,34H,4,6,12H2,1-3H3,(H,32,33)(H,28,30,31)/t16-,23-/m1/s1
• Isomeric SMILES: CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CN=C(S3)[C@]4(CC[C@@H](C(C4)(C)C)C(=O)O)O
• PubChem CID: 53251506

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Toluenes 2,5-disubstituted thiazoles Aminopyrimidines and derivatives Cyclohexanols Tertiary alcohols Heteroaromatic compounds Amino acids Cyclic alcohols and derivatives Secondary amines Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Alkyl fluorides Organopnictogen compounds Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Cyclohexanol - Toluene - Pyrimidine - Azole - Cyclic alcohol - Tertiary alcohol - Thiazole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Alkyl halide - Organopnictogen compound - Alcohol - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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