Chem
J-GLOBAL ID：201707015043480863   Nikkaji number：J3.586.394J

GSK-J4

3-[[2-(2-ピリジル)-6-(1,2,4,5-テトラヒドロ-3H-3-ベンゾアゼピン-3-イル)-4-ピリミジニル]アミノ]プロピオン酸エチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H27N5O2
Molecular formula furigana： C24-H27-N5-O2
Molecular weight： 417.513
InChI： InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)
InChI key： WBKCKEHGXNWYMO-UHFFFAOYSA-N
SMILES： CCOC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2ccccc2CC1
Systematic name  (3)：
  • 3-[[2-(2-ピリジル)-6-(1,2,4,5-テトラヒドロ-3H-3-ベンゾアゼピン-3-イル)-4-ピリミジニル]アミノ]プロピオン酸エチル
  • エチル 3-{[2-(ピリジン-2-イル)-6-(2,3,4,5-テトラヒドロ-1H-3-ベンゾアゼピン-3-イル)ピリミジン-4-イル]アミノ}プロパノアート
  • ethyl 3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoate
Other name (2)：
  • 3-[[2-(2-Pyridyl)-6-(1,2,4,5-tetrahydro-3H-3-benzoazepine-3-yl)-4-pyrimidinyl]amino]propionic acid ethyl ester
  • GSK-J4
CAS registry number： 1373423-53-0
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