3-[5-[[2,3-difluoro-6-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methoxy]-2-fluorophenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid | 1075700-75-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-[5-[[2,3-difluoro-6-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methoxy]-2-fluorophenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
• CAS: 1075700-75-2
• 化学式: C₂₇H₁₉F₃N₄O₈S
• 分子量: 616.531
• InChiKey: SREWLNCRABLHOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  174
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES
  申请人：Miyagi Takashi

  公开号：US20100130514A1

  公开（公告）日：2010-05-27

  The present invention provides compounds useful as agents for the prevention or treatment of a sex hormone-dependent disease or the like. That is, the present invention provides fused heterocyclic derivatives represented by the following general formula (I), pharmaceutical compositions containing the same, medicinal uses thereof and the like. In the formula (I), rings A is 5-membered cyclic unsaturated hydrocarbon or 5-membered heteroaryl; R A is halogen, alkyl, alkenyl, alkynyl, carboxy, alkoxy, carbamoyl, alkylcarbamoyl, etc.; ring B is aryl or heteroaryl; R B is halogen, alkyl, carboxy, alkoxy, carbamoyl, alkylcarbamoyl, etc.; E 1 and E 2 are oxygen atom, etc.; U is single bond or alkylene; X is a group represented by Y, —O-(alkylene)-Y or —O—Z (in which Y is Z or amino substituted by Z, etc.; Z is cycloalkyl, heterocycloalkyl, aryl, heteroaryl, etc.

  本发明提供了可用作预防或治疗性激素依赖性疾病等的药剂的化合物。也就是说，本发明提供了由下述通式（I）表示的融合杂环衍生物、含有它们的药物组合物、药物用途等。在式（I）中，环A是5元环不饱和碳氢化合物或5元杂环；RA是卤素、烷基、烯基、炔基、羧基、烷氧基、氨基甲酰基、烷基甲酰基等；环B是芳基或杂芳基；RB是卤素、烷基、羧基、烷氧基、氨基甲酰基、烷基甲酰基等；E1和E2是氧原子等；U是单键或烷基；X是由Y表示的基团，-O-(烷基)-Y或-O-Z（其中Y是Z或由Z取代的氨基等；Z是环烷基、杂环烷基、芳基、杂芳基等）。