2-amino-N-(4-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-amino-N-(4-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• 化学式: C₁₅H₁₅BrN₂OS
• 分子量: 351.267
• InChiKey: LFULEAQCWJNKAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氰基-N-(4-溴苯基)-乙酰胺 在 乙酸铵 、 sulfur 、 溶剂黄146 、 二乙胺 作用下， 以 乙醇 、 苯 为溶剂， 反应 17.5h， 生成 2-amino-N-(4-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  参考文献：
  名称：

  2-Aminothiophene-3-carboxylates and carboxamides as adenosine A1 receptor allosteric enhancers

  摘要：

  Three series of 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene and 2-amino-5,6,7,8-tetrahydrocyclohepta[b]thiophenes with 3-carboxylates and carboxamides have been prepared using the Gewald synthesis and evaluated as AIAR allosteric enhancers. The structure-activity relationships of these classes of compound are described. A number of compounds, notably 7b, are more potent and efficacious than PD81,723 (1). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.11.018

文献信息

• 2-Aminothiophene-3-carboxylates and carboxamides as adenosine A1 receptor allosteric enhancers
  作者：George Nikolakopoulos、Heidi Figler、Joel Linden、Peter J. Scammells

  DOI：10.1016/j.bmc.2005.11.018

  日期：2006.4

  Three series of 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene and 2-amino-5,6,7,8-tetrahydrocyclohepta[b]thiophenes with 3-carboxylates and carboxamides have been prepared using the Gewald synthesis and evaluated as AIAR allosteric enhancers. The structure-activity relationships of these classes of compound are described. A number of compounds, notably 7b, are more potent and efficacious than PD81,723 (1). (c) 2005 Elsevier Ltd. All rights reserved.