3-[3-[2-(3-fluorophenyl)propan-2-ylsulfanyl]phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid | 935282-49-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-[3-[2-(3-fluorophenyl)propan-2-ylsulfanyl]phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
• CAS: 935282-49-8
• 化学式: C₂₂H₁₇FN₂O₄S₂
• 分子量: 456.518
• InChiKey: LDJLTZBBHAYZIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  140
• 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。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADENOMYOSIS AND RECTOVAGINAL ENDOMETRIOSIS
  申请人：ObsEva S.A.

  公开号：US20220117969A1

  公开（公告）日：2022-04-21

  The present disclosure provides compositions and methods for treating endometrial growth disorders in a patient, such as a human patient, and particularly pre-menopausal female human patients. Exemplary disorders that may be treated using the compounds and therapeutic regimens described herein include adenomyosis and rectovaginal endometriosis. The compounds described herein that may be used to treat such indications include gonadotropin-releasing hormone (GnRH) antagonists. Suitable GnRH antagonists useful in conjunction with the compositions and methods described herein include thieno[3,4d]pyrimidine derivatives, such as 3-[2-fluoro-5-(2,3-difluoro-6-methoxybenzyloxy)4-methoxyphenyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno [3,4d]pyrimidine-5-carboxylic acid and the choline salt thereof, among others.
• US9040693B2
  申请人：——

  公开号：US9040693B2

  公开（公告）日：2015-05-26