CHEBI:192483 - BAY-826

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ChEBI Name BAY-826
ChEBI ID CHEBI:192483
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter TheOtherDave
Supplier Information
Download Molfile XML SDF
Formula C26H19F5N6OS
Net Charge 0
Average Mass 558.530
Monoisotopic Mass 558.12612
InChI InChI=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)
InChIKey MPASHPJAIUOWCK-UHFFFAOYSA-N
SMILES CC1=CC(C)=C(NC(=O)C2=CC(=CC(=C2)C#N)S(F)(F)(F)(F)F)C=C1N1C=CN2N=C(C=C12)C1=CC=CN=C1
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
[3-cyano-5-[[[2,4-dimethyl-5-[6-(3-pyridinyl)-1H-imidazo[1,2-b]pyrazol-1-yl]phenyl]amino]carbonyl]phenyl]pentafluorosulfur ChEBI
BAY 826 ChEBI
BAY826 ChEBI
Manual Xref Database
US9394309 Patent
View more database links
Registry Number Type Source
1448316-08-2 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
27787897 PubMed citation Europe PMC
29676732 PubMed citation Europe PMC
33673213 PubMed citation Europe PMC
34335960 PubMed citation Europe PMC
Last Modified
22 June 2022