基本情報
- 標準SMILES
O=C(Nc1ccn(Cc2c(F)cccc2C(F)(F)F)n1)c1c(F)cccc1F- InChIKey
AUBGZAJDHUHMAE-UHFFFAOYSA-N- 分子式
- C18H11F6N3O
- 平均分子量
- 399.3 g/mol
概要
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.
名称と識別子
- 優先名称
- Gsk-5498A
- IUPAC
- 2,6-difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
名称と別名
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
名称をさらに表示
orb1709548SCHEMBL30096538C18H11F6N3OGSK 5498AGLXC-03242GSK-5498A?BDBM50575334MFCD28385869
データベース識別子
- PubChem CID
- 46945384
- ChEMBL
CHEMBL4863881- ChEBI
CHEBI:176897
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 46.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 538
関連反応
4 件
化合物ノート
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