2-氧杂-6,9,12-三氮杂十五烷-15-酸,9-[2-(环十二基氨基)乙基]-3-羰基-,甲基酯 | 129323-70-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氧杂-6,9,12-三氮杂十五烷-15-酸,9-[2-(环十二基氨基)乙基]-3-羰基-,甲基酯
• 英文名称: dimethyl 3,3'-<<<2-(cyclododecylamino)ethyl>imino>bis(2,1-ethanediylimino)>bis
• 英文别名: Methyl 3-[2-[2-(cyclododecylamino)ethyl-[2-[(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethylamino]propanoate
• CAS: 129323-70-2
• 化学式: C₂₆H₅₂N₄O₄
• 分子量: 484.723
• InChiKey: JNUOJTVCAVDFIM-UHFFFAOYSA-N

物化性质

• 沸点：
  584.2±50.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  34
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  91.9
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-氧杂-6,9,12-三氮杂十五烷-15-酸,9-[2-(环十二基氨基)乙基]-3-羰基-,甲基酯 、 乙二胺 以 甲醇 为溶剂， 反应 96.0h， 以88.5%的产率得到16-amino-N-(2-aminoethyl)-7-<2-(cyclododecylamino)ethyl>-13-oxo-4,7,10,14-tetraazahexadecanamide
  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
• 作为产物：
  描述：

  环十二酮 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 25.5h， 生成 2-氧杂-6,9,12-三氮杂十五烷-15-酸,9-[2-(环十二基氨基)乙基]-3-羰基-,甲基酯
  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.