(4aR,7aR)-2-amino-7a-(5-chlorothiophen-2-yl)-6-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one | 1192479-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4aR,7aR)-2-amino-7a-(5-chlorothiophen-2-yl)-6-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
• CAS: 1192479-28-9
• 化学式: C₁₇H₁₈ClFN₆OS
• 分子量: 408.887
• InChiKey: ZFKYXRJZHBSNDU-BTDLBPIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2283016B1

  公开（公告）日：2014-09-24
• US8450331B2
  申请人：——

  公开号：US8450331B2

  公开（公告）日：2013-05-28
• [EN] THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE<br/>[FR] COMPOSES DE 2-IMINO-3-METHYL-PYRROLO PYRIMIDINONE SUBSTITUES PAR THIOPHENYLE UTILISES EN TANT QU'INHIBITEURS BACE-1, COMPOSITIONS ET UTILISATION ASSOCIEES
  申请人：SCHERING CORP

  公开号：WO2009131974A1

  公开（公告）日：2009-10-29

  In its many embodiments, the present invention provides provides certain thiophenyl-substituted 2-imino-3-methyl pyrrolo pyrimidone compounds, including compounds (or tautomers or a pharmaceutically acceptable salts thereof) having the structural Formula (III): wherein R2, R3, R4, R5, R6, R7, R8, and R9 are each selected independently and as defined herein. Pharmaceutical compositions comprising one or more such compounds, and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimer's Disease, are also disclosed.