2-(1,1-dimethyl-2-oxo-2-azabicyclo[2.2.1]heptan-7-ylethyl)-4-[1-methoxy-2-(4-{pyrrolidin-1-ylcarbonylmethyl}-piperazin-1-yl)ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrole | 863599-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(1,1-dimethyl-2-oxo-2-azabicyclo[2.2.1]heptan-7-ylethyl)-4-[1-methoxy-2-(4-{pyrrolidin-1-ylcarbonylmethyl}-piperazin-1-yl)ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrole
• 英文别名: 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[1-methoxy-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one
• CAS: 863599-58-0
• 化学式: C₃₇H₅₁N₅O₃S
• 分子量: 645.91
• InChiKey: PSEQIGMSWIKGCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲醇 、 2-[2-(7-azabicyclo[2.2.1]hept-7-yl)-1,1-dimethyl-2-oxoethyl]-5-(3,5-dimethylphenyl)-4-{2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl}-6H-thieno[2,3-b]pyrrole 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以57%的产率得到2-(1,1-dimethyl-2-oxo-2-azabicyclo[2.2.1]heptan-7-ylethyl)-4-[1-methoxy-2-(4-{pyrrolidin-1-ylcarbonylmethyl}-piperazin-1-yl)ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrole
  参考文献：
  名称：

  [EN] THIENOPYROLES AS ANTAGONISTS OF GNRH
  [FR] THIENOPYROLES UTILISES COMME ANTAGONISTES DE LA GNRH

  摘要：

  这项发明涉及一组新颖的噻吩-吡咯烯化合物，其化学式为(I)，其中：R1、R2、R3、R4和R5如规范中所定义，可用作促性腺激素释放激素拮抗剂。该发明还涉及所述化合物的药物配方、使用所述化合物的治疗方法以及所述化合物的制备过程。

  公开号：

  WO2005080402A1

文献信息

• Thienopyrroles as antagonists of gnrh
  申请人：Arnould Jean-Claude

  公开号：US20070167428A1

  公开（公告）日：2007-07-19

  The invention relates to a group of novel thieno-pyrrole compounds of Formula (I) wherein: R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the specification, which are useful as gonadotrophin releasing hormone antagonists. The invention also relates to pharmaceutical formulations of said compounds, methods of treatment using said compounds and to processes for the preparation of said compounds.
• [EN] THIENOPYROLES AS ANTAGONISTS OF GNRH<br/>[FR] THIENOPYROLES UTILISES COMME ANTAGONISTES DE LA GNRH
  申请人：ASTRAZENECA AB

  公开号：WO2005080402A1

  公开（公告）日：2005-09-01

  The invention relates to a group of novel thieno-pyrrole compounds of Formula (I) wherein: R1, R2, R3, R4 and R5 are as defined in the specification, which are useful as gonadotrophin releasing hormone antagonists. The invention also relates to pharmaceutical formulations of said compounds, methods of treatment using said compounds and to processes for the preparation of said compounds.

  这项发明涉及一组新颖的噻吩-吡咯烯化合物，其化学式为(I)，其中：R1、R2、R3、R4和R5如规范中所定义，可用作促性腺激素释放激素拮抗剂。该发明还涉及所述化合物的药物配方、使用所述化合物的治疗方法以及所述化合物的制备过程。