3-[2-fluoro-5-[2-(4-methoxyphenyl)ethyl]phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid | 935282-33-0

• 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-[2-fluoro-5-[2-(4-methoxyphenyl)ethyl]phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
• CAS: 935282-33-0
• 化学式: C₂₂H₁₇FN₂O₅S
• 分子量: 440.452
• InChiKey: BAIYVRUYGSWSKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF
  申请人：Ohno Kohsuke

  公开号：US20090325900A1

  公开（公告）日：2009-12-31

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

  本发明提供一种化合物，可用作预防或治疗与性激素依赖性疾病或类似疾病的药剂。即，本发明提供以下通式（I）所表示的融合杂环衍生物，包含其制药组合物、药用等。在式（I）中，环A表示5-成员环状不饱和碳氢化合物或5-成员杂芳基；RA表示卤素、烷基、烯基、炔基、羧基、烷氧基、氨基甲酰基、烷基甲酰基或类似物；环B表示芳基或杂芳基；RB表示卤素、烷基、羧基、烷氧基、氨基甲酰基、烷基甲酰基或类似物；E1和E2表示氧原子或类似物；U表示单键或烷基；X表示由Y表示的基团、—SO2—Y、—O—（烷基）-Y、—O-Z中的基团，其中Y表示氨基或类似物；Z表示环烷基、杂环烷基、芳基、杂芳基或类似物；或类似物。
• US9040693B2
  申请人：——

  公开号：US9040693B2

  公开（公告）日：2015-05-26