6-acetyl-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2,3-dihydroxypropoxy)phenyl]-2-methyl-7H-purin-8-one | 1073433-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 6-acetyl-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2,3-dihydroxypropoxy)phenyl]-2-methyl-7H-purin-8-one
• CAS: 1073433-23-4
• 化学式: C₂₅H₂₃ClF₂N₄O₇
• 分子量: 564.93
• InChiKey: IUHKWOMBVCXCOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  143
• 氢给体数：
  3
• 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：Yonekubo Shigeru

  公开号：US20100112090A1

  公开（公告）日：2010-05-06

  [Purpose] The present invention provides compounds useful as agents for the prevention or treatment of a sex hormone-dependent disease or the like. [Solution] The present invention provides nitrogen-containing fused ring derivatives represented by the following general formula (I) which has a GnRH antagonistic activity, prodrugs, salts, pharmaceutical compositions containing the same, medicinal uses thereof and the like. In the formula (I), rings A and B are independently aryl or heteroaryl; R A and R B are independently halogen, cyano, alkyl, alkylsulfonyl, —OW 1 , —SW 1 , —COW 2 , —NW 3 W 4 , —SO 2 NW 3 W 4 , aryl, etc.; R C is H or alkyl; E is oxygen atom, etc.; U is single bond or alkylene; and X is Y, —CO—Y, —SO 2 —Y, —S-(alkylene)-Y, —O-(alkylene)-Y, —SO 2 -(alkylene)-Y, etc.; Y is Z or amino, etc.; and Z is cycloalkyl, heterocycloalkyl, aryl, heteroaryl, etc.

  [目的]本发明提供一种化合物，可用作预防或治疗性激素依赖性疾病等药物。 [解决方案]本发明提供一种氮杂环融合衍生物，其具有GnRH拮抗活性，包括前药、盐、含有该化合物的药物组成物、药物用途等。该化合物的通式(I)如下：在式(I)中，环A和环B独立地是芳基或杂芳基；RA和RB独立地是卤素、氰基、烷基、烷基磺酰、—OW1、—SW1、—COW2、—NW3W4、—SO2NW3W4、芳基等；RC是氢或烷基；E是氧原子等；U是单键或烷基；X是Y、—CO—Y、—SO2—Y、—S-(烷基)-Y、—O-(烷基)-Y、—SO2-(烷基)-Y等；Y是Z或氨基等；Z是环烷基、杂环烷基、芳基、杂芳基等。
• US8217069B2
  申请人：——

  公开号：US8217069B2

  公开（公告）日：2012-07-10