5-[2-(dimethylamino)ethoxy]thiophene-2-carbaldehyde | 386212-58-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-[2-(dimethylamino)ethoxy]thiophene-2-carbaldehyde
• CAS: 386212-58-4
• 化学式: C₉H₁₃NO₂S
• 分子量: 199.274
• InChiKey: ZDGKZZOFXAYOFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-acetyl-3-[(Z)-benzylidene]-2,5-piperazinedione 、 5-[2-(dimethylamino)ethoxy]thiophene-2-carbaldehyde 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (3Z,6Z)-6-Benzylidene-3-(5-(2-dimethylaminoethoxy)-thien-2-ylmethylene)-2,5-piperazinedione
  参考文献：
  名称：

  Synthesis and in vitro evaluation of a series of diketopiperazine inhibitors of plasminogen activator inhibitor-1

  摘要：

  We have synthesized and evaluated a series of diketopiperazine-based inhibitors of PAI-1. These studies resulted in the identification of 34 which inhibited PAI-1 in vitro with an IC50 = 0.2 muM. The synthesis and SAR of these compounds are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00508-x
• 作为产物：
  描述：

  2-(5-溴-2-噻吩基)-1,3-二氧戊环 在 氢气 、 copper(I) bromide 作用下， 生成 5-[2-(dimethylamino)ethoxy]thiophene-2-carbaldehyde
  参考文献：
  名称：

  Synthesis and in vitro evaluation of a series of diketopiperazine inhibitors of plasminogen activator inhibitor-1

  摘要：

  We have synthesized and evaluated a series of diketopiperazine-based inhibitors of PAI-1. These studies resulted in the identification of 34 which inhibited PAI-1 in vitro with an IC50 = 0.2 muM. The synthesis and SAR of these compounds are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00508-x