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CHEBI:176897 - GSK-5498A

ChEBI IDCHEBI:176897
ChEBI NameGSK-5498A
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole substituted by 2-fluoro-6-(trifluoromethyl)benzyl and (2,6-difluorobenzoyl)amino groups at positions 1 and 3, respectively. It is a inhibitor of Ca2+ release-activated Ca2+ (CRAC) channel and inhibits the release of mast cell mediators and T-cell cytokines in human and rat preparations.
Last Modified23 July 2021
SubmitterCeri
DownloadsMolfile
FormulaC18H11F6N3O
Net Charge0
Average Mass399.294
Monoisotopic Mass399.08063
SMILESO=C(Nc1ccn(Cc2c(F)cccc2C(F)(F)F)n1)c1c(F)cccc1F
InChIInChI=1S/C18H11F6N3O/c19-12-4-1-3-11(18(22,23)24)10(12)9-27-8-7-15(26-27)25-17(28)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,25,26,28)
InChIKeyAUBGZAJDHUHMAE-UHFFFAOYSA-N
Roles Classification
Biological Role:
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
ChEBI Ontology
Outgoing Relation(s)
GSK-5498A (CHEBI:176897) has role calcium channel blocker (CHEBI:38215)
GSK-5498A (CHEBI:176897) is a (trifluoromethyl)benzenes (CHEBI:83565)
GSK-5498A (CHEBI:176897) is a difluorobenzene (CHEBI:38582)
GSK-5498A (CHEBI:176897) is a pyrazoles (CHEBI:26410)
GSK-5498A (CHEBI:176897) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
2,6-difluoro-N-{1-[2-fluoro-6-(trifluoromethyl)benzyl]-1H-pyrazol-3-yl}benzamide
Synonyms  Source
2,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamideIUPAC
GSK5498AChEBI
GSK 5498AChEBI
Registry NumbersSources
CAS:1253186-49-0ChEBI
Citations