2-[4-(2-acetyl-6-methoxy-7,9-dihydro-8H-purin-8-one-9-yl)-5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)phenoxy]-N-methylacetic acid amide | 1073434-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-[4-(2-acetyl-6-methoxy-7,9-dihydro-8H-purin-8-one-9-yl)-5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)phenoxy]-N-methylacetic acid amide
• 英文别名: 2-[4-(2-acetyl-6-methoxy-7,9-dihydro-8H-purin-8-on-9-yl)-5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)phenoxy]-N-methylacetic acid amide；2-[4-(2-ethanoyl-6-methoxy-7,9-dihydro-8H-purin-8-one-9-yl)-5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)phenoxy]-N-methylethanamide；2-[4-(2-acetyl-6-methoxy-7,9-dihydro-8H-purine-8-one-9-yl)-5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)-phenoxy]-N-methylacetamide；2-[4-(2-Acetyl-6-methoxy-7,9-dihydro-8H-purin-8-one-9-yl)-5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)phenoxy]-N-methylacetamide；2-[4-(2-acetyl-6-methoxy-8-oxo-7H-purin-9-yl)-5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]-N-methylacetamide
• CAS: 1073434-32-8
• 化学式: C₂₅H₂₂ClF₂N₅O₇
• 分子量: 577.929
• InChiKey: NRRWOBOAXCXFEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP2143724B1

  公开（公告）日：2013-12-11
• US8217069B2
  申请人：——

  公开号：US8217069B2

  公开（公告）日：2012-07-10