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Applications
Protein kinases
Other protein kinases
4-[(2-{1-[(2-fluorophenyl)methyl]-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-5-(2-methanesulfonylethoxy)pyrimidin-4-yl)amino]pyridine-3-carboxamide , CAS No.F608929, Inhibitor of BUB1 mitotic checkpoint serine/threonine kinase
4-[(2-{1-[(2-fluorophenyl)methyl]-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-5-(2-methanesulfonylethoxy)pyrimidin-4-yl)amino]pyridine-3-carboxamide , CAS No.F608929, Inhibitor of BUB1 mitotic checkpoint serine/threonine kinase
Basic Description
Synonyms
compound 2-13-1
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of BUB1 mitotic checkpoint serine/threonine kinase
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxamides
Direct Parent
Nicotinamides
Alternative Parents
Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Pyrazoles Vinylogous amides Sulfones Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Secondary amines Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nicotinamide - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Pyrazole - Vinylogous amide - Sulfonyl - Sulfone - Azole - Heteroaromatic compound - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-[(2-{1-[(2-fluorophenyl)methyl]-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-5-(2-methanesulfonylethoxy)pyrimidin-4-yl)amino]pyridine-3-carboxamide
INCHI
InChI=1S/C26H26FN7O4S/c1-39(36,37)12-11-38-22-14-30-26(32-25(22)31-20-9-10-29-13-18(20)24(28)35)23-17-6-4-8-21(17)34(33-23)15-16-5-2-3-7-19(16)27/h2-3,5,7,9-10,13-14H,4,6,8,11-12,15H2,1H3,(H2,28,35)(H,29,30,31,32)
InChIKey
FFVPQWXBEUUBMF-UHFFFAOYSA-N
Smiles
NC(=O)c1cnccc1Nc1nc(ncc1OCCS(=O)(=O)C)c1nn(c2c1CCC2)Cc1ccccc1F
Isomeric SMILES
CS(=O)(=O)CCOC1=CN=C(N=C1NC2=C(C=NC=C2)C(=O)N)C3=NN(C4=C3CCC4)CC5=CC=CC=C5F
PubChem CID
72203102
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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