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
- 형식 전하
- 0
- 복잡도
- 538
관련 반응
4건
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