GSK-5498A (CHEBI:176897)

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ChEBI Name	GSK-5498A

ChEBI ID	CHEBI:176897

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ceri

Supplier Information

Download	Molfile XML SDF

Formula

C18H11F6N3O

Net Charge

Average Mass

399.296

Monoisotopic Mass

399.08063

InChI

InChI=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)

InChIKey

AUBGZAJDHUHMAE-UHFFFAOYSA-N

SMILES

FC1=CC=CC(F)=C1C(=O)NC1=NN(CC2=C(F)C=CC=C2C(F)(F)F)C=C1

Roles Classification
Biological Role(s):	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	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	Sources
2,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide	IUPAC
GSK 5498A	ChEBI
GSK5498A	ChEBI

Registry Number	Type	Source
1253186-49-0	CAS Registry Number	ChEBI

Last Modified

23 July 2021