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CHEBI:192483 - BAY-826

ChEBI IDCHEBI:192483
ChEBI NameBAY-826
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 3-cyano-5-(pentafluoro-λ6-sulfanyl)benzoic acid with the amino group of 2,4-dimethyl-5-[6-(pyridin-3-yl)-1H-imidazo[1,2-b]pyrazol-1-yl]aniline. It is a potent TIE-2 inhibitor (Kd = 1.6 nM) which displays in vivo efficacy in some murine glioma models.
Last Modified22 June 2022
SubmitterTheOtherDave
DownloadsMolfile
FormulaC26H19F5N6OS
Net Charge0
Average Mass558.536
Monoisotopic Mass558.12612
SMILESCc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C26H19F5N6OS/c1-16-8-17(2)24(36-6-7-37-25(36)13-23(35-37)19-4-3-5-33-15-19)12-22(16)34-26(38)20-9-18(14-32)10-21(11-20)39(27,28,29,30)31/h3-13,15H,1-2H3,(H,34,38)
InChIKeyMPASHPJAIUOWCK-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BAY-826 (CHEBI:192483) has role antineoplastic agent (CHEBI:35610)
BAY-826 (CHEBI:192483) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
BAY-826 (CHEBI:192483) is a benzamides (CHEBI:22702)
BAY-826 (CHEBI:192483) is a imidazopyrazole (CHEBI:192493)
BAY-826 (CHEBI:192483) is a nitrile (CHEBI:18379)
BAY-826 (CHEBI:192483) is a organofluorine compound (CHEBI:37143)
BAY-826 (CHEBI:192483) is a organosulfur compound (CHEBI:33261)
BAY-826 (CHEBI:192483) is a pyridines (CHEBI:26421)
BAY-826 (CHEBI:192483) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
3-cyano-N-{2,4-dimethyl-5-[6-(pyridin-3-yl)-1H-imidazo[1,2-b]pyrazol-1-yl]phenyl}-5-(pentafluoro-λ6-sulfanyl)benzamide
Synonyms  Source
BAY 826ChEBI
BAY826ChEBI
[3-cyano-5-[[[2,4-dimethyl-5-[6-(3-pyridinyl)-1H-imidazo[1,2-b]pyrazol-1-yl]phenyl]amino]carbonyl]phenyl]pentafluorosulfurChEBI
Manual XrefsDatabases
US9394309Patent
Registry NumbersSources
CAS:1448316-08-2ChEBI
Citations