Gsk-5498A

HCID 46945384

Grundinformationen

Standard-SMILES
O=C(Nc1ccn(Cc2c(F)cccc2C(F)(F)F)n1)c1c(F)cccc1F
InChIKey
AUBGZAJDHUHMAE-UHFFFAOYSA-N
Summenformel
C18H11F6N3O
Durchschnittliche Molmasse
399,3 g/mol

Überblick

GSK-5498A is 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. It has a role as a calcium channel blocker. It is a secondary carboxamide, a member of pyrazoles, a difluorobenzene and a member of (trifluoromethyl)benzenes.

Namen und Bezeichner

Bevorzugter Name
Gsk-5498A
IUPAC
2,6-difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

Namen und Synonyme

GSK-5498A1253186-49-0CHEBI:176897RefChem:9225392,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide2,6-difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamideCHEMBL48638812,6-difluoro-N-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide2,6-Difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]benzamide2,6-difluoro-N-{1-[2-fluoro-6-(trifluoromethyl)benzyl]-1H-pyrazol-3-yl}benzamideSCHEMBL715052GSK5498A
Weitere Namen anzeigen
orb1709548SCHEMBL30096538C18H11F6N3OGSK 5498AGLXC-03242GSK-5498A?BDBM50575334MFCD28385869

Datenbank-Bezeichner

PubChem CID
46945384
ChEMBL
CHEMBL4863881
ChEBI
CHEBI:176897

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,2
Polarare Oberfläche (TPSA)
46,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
4
Schwere Atome
28

Zugehörige Reaktionen

4

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