Gsk-5498A

HCID 46945384

기본 정보

표준 SMILES
O=C(Nc1ccn(Cc2c(F)cccc2C(F)(F)F)n1)c1c(F)cccc1F
InChIKey
AUBGZAJDHUHMAE-UHFFFAOYSA-N
분자식
C18H11F6N3O
평균 분자량
399.3 g/mol

개요

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.

이름 및 식별자

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

이름 및 동의어

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
이름 더 보기
orb1709548SCHEMBL30096538C18H11F6N3OGSK 5498AGLXC-03242GSK-5498A?BDBM50575334MFCD28385869

데이터베이스 식별자

PubChem CID
46945384
ChEMBL
CHEMBL4863881
ChEBI
CHEBI:176897

물성

구조 계산 물성

XLogP
4.2
극성 표면적
46.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
28

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