3-[5-[(2,3-difluoro-6-methoxyphenyl)methyl-methylsulfonylamino]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid | 1075704-95-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-[5-[(2,3-difluoro-6-methoxyphenyl)methyl-methylsulfonylamino]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
• CAS: 1075704-95-8
• 化学式: C₂₃H₁₈F₃N₃O₈S₂
• 分子量: 585.538
• InChiKey: XUPLXKZGOLMAMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  179
• 氢给体数：
  2
• 氢受体数：
  13

文献信息

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

  公开号：US20100081674A1

  公开（公告）日：2010-04-01

  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) which has a GnRH antagonistic activity, 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.; Q is hydrogen atom, alkyl, alkylsulfonyl, acyl, etc.; X is -(alkylene)-Z, —CO—Y, —SO 2 —Y, etc. (in which Y is Z or amino, etc.; Z is cycloalkyl, heterocycloalkyl, aryl, heteroaryl, etc.

  本发明提供了化合物，可用作预防或治疗性激素依赖性疾病等的药物。即，本发明提供了具有GnRH拮抗活性的融合杂环衍生物，其表示为以下通式（I），以及含有该化合物的制药组合物、药物用途等。在式（I）中，环A是5元杂环烃或5元杂环芳烃；RA是卤素、烷基、烯基、炔基、羧基、烷氧基、氨基甲酰基等；环B是芳基或杂芳基；RB是卤素、烷基、羧基、烷氧基、氨基甲酰基等；E1和E2是氧原子等；Q是氢原子、烷基、烷基磺酰基、酰基等；X是-(烷基)Z，—CO—Y，—SO2—Y等（其中Y是Z或氨基等；Z是环烷基、杂环烷基、芳基、杂芳基等）。
• US8426427B2
  申请人：——

  公开号：US8426427B2

  公开（公告）日：2013-04-23