2-[2-(7-azabicyclo[2.2.1]hept-7-yl)-1,1-dimethyl-2-oxoethyl]-5-(3,5-dimethylphenyl)-6-{2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl}-4H-thieno[3,2-b]pyrrole | 1176870-17-9

• 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-[2-(7-azabicyclo[2.2.1]hept-7-yl)-1,1-dimethyl-2-oxoethyl]-5-(3,5-dimethylphenyl)-6-{2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl}-4H-thieno[3,2-b]pyrrole
• 英文别名: 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-6-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-4H-thieno[3,2-b]pyrrol-2-yl]-2-methylpropan-1-one
• CAS: 1176870-17-9
• 化学式: C₃₆H₄₉N₅O₂S
• 分子量: 615.883
• InChiKey: BJNQPHWBSSMQBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  91.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[2-(7-azabicyclo[2.2.1]hept-7-yl)-1,1-dimethyl-2-oxoethyl]-6-(2-chloroethyl)-5-(3,5-dimethylphenyl)-4H-thieno[3,2-b]pyrrole 、 1-(吡咯烷基羰基甲基)哌嗪 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以63%的产率得到2-[2-(7-azabicyclo[2.2.1]hept-7-yl)-1,1-dimethyl-2-oxoethyl]-5-(3,5-dimethylphenyl)-6-{2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl}-4H-thieno[3,2-b]pyrrole
  参考文献：
  名称：

  Fischer synthesis of isomeric thienopyrrole LHRH antagonists

  摘要：

  As part of a structure-activity exploration into LHRH antagonists, structures containing the thieno[2,3b]pyrrole core were identified as potent antagonists. This letter describes the employment of the Fischer synthesis to access this thienopyrrole and isorneric final compounds. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.007

文献信息

• Fischer synthesis of isomeric thienopyrrole LHRH antagonists
  作者：David M. Andrews、Jean-Claude Arnould、Pascal Boutron、Bénédicte Délouvrie、Christian Delvare、Kevin M. Foote、Annie Hamon、Craig S. Harris、Christine Lambert-van der Brempt、Maryannick Lamorlette、Zbegniew M. Matusiak

  DOI：10.1016/j.tet.2009.05.007

  日期：2009.7

  As part of a structure-activity exploration into LHRH antagonists, structures containing the thieno[2,3b]pyrrole core were identified as potent antagonists. This letter describes the employment of the Fischer synthesis to access this thienopyrrole and isorneric final compounds. (C) 2009 Elsevier Ltd. All rights reserved.