12-{2-[Bis-(2-amino-ethyl)-amino]-ethylamino}-octadecanoic acid amide | 139200-90-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 12-{2-[Bis-(2-amino-ethyl)-amino]-ethylamino}-octadecanoic acid amide
• 英文别名: 12-[2-[Bis(2-aminoethyl)amino]ethylamino]octadecanamide
• CAS: 139200-90-1
• 化学式: C₂₄H₅₃N₅O
• 分子量: 427.718
• InChiKey: PLQXBXGQCCCLDB-UHFFFAOYSA-N

物化性质

• 沸点：
  576.9±30.0 °C(Predicted)
• 密度：
  0.951±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  110
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 12-oxo-octadecanoic acid amide 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 生成 12-{2-[Bis-(2-amino-ethyl)-amino]-ethylamino}-octadecanoic acid amide
  参考文献：
  名称：

  Cholesterol-lowering bile acid-binding agents: novel lipophilic polyamines

  摘要：

  A series of novel lipophilic polyamines was synthesized by the sodium cyanoborohydride-mediated reductive amination of various ketones and aldehydes with the polyamine tris(2-aminoethyl)amine. Two of these compounds, N,N-bis[2-(cyclododecylamino)ethyl]-N'-benzyl-1,2-ethanediamine trihydrochloride (36.3HCl) and N,N-bis[2-(cyclododecylmethylamino)ethyl]-N',N'-dimethyl-1,2-ethaediamine (23), are 29 and 24 times more potent than colestipol hydrochloride, respectively, for lowering animal serum cholesterol levels.

  DOI：

  10.1021/jm00085a011

文献信息

• Cholesterol-lowering bile acid-binding agents: novel lipophilic polyamines
  作者：Edward W. Thomas、Michele M. Cudahy、Charles H. Spilman、Dac M. Dinh、Tommie L. Watkins、Thomas J. Vidmar

  DOI：10.1021/jm00085a011

  日期：1992.4

  A series of novel lipophilic polyamines was synthesized by the sodium cyanoborohydride-mediated reductive amination of various ketones and aldehydes with the polyamine tris(2-aminoethyl)amine. Two of these compounds, N,N-bis[2-(cyclododecylamino)ethyl]-N'-benzyl-1,2-ethanediamine trihydrochloride (36.3HCl) and N,N-bis[2-(cyclododecylmethylamino)ethyl]-N',N'-dimethyl-1,2-ethaediamine (23), are 29 and 24 times more potent than colestipol hydrochloride, respectively, for lowering animal serum cholesterol levels.