Hexadecyl-(2-hydroxyethyl)-dimethylazanium;4-methylbenzenesulfonate | 110220-36-5

• 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: Hexadecyl-(2-hydroxyethyl)-dimethylazanium;4-methylbenzenesulfonate
• 英文别名: hexadecyl-(2-hydroxyethyl)-dimethylazanium;4-methylbenzenesulfonate
• CAS: 110220-36-5
• 化学式: C₇H₇O₃S*C₂₀H₄₄NO
• 分子量: 485.772
• InChiKey: XPDGHHMZYDYFBF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.44
• 重原子数：
  33
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  己基二氯膦酸酯 、 Hexadecyl-(2-hydroxyethyl)-dimethylazanium;4-methylbenzenesulfonate 在 吡啶 、 水 作用下， 生成 2-[dimethyl-(hexyl)ammonio]ethyl hexadecyl phosphate
  参考文献：
  名称：

  Synthesis and biological activity of dialkylphosphocholines

  摘要：

  A series of dialkylphosphocholines were prepared and evaluated for their biological activity. The antiprotozoal activity was determined against Acanthamoeba lugdunensis. Compound 15 exhibited excellent trophocidal activity. None of the tested dialkylphosphocholines exhibited better fungicidal activity against Candida albicans than miltefosine. The antineoplastic activity was determined against HeLa. The most cytotoxic was compound 10, which was more active against tumor cells as against normal cells. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.079
• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 对甲苯磺酸十六烷基酯 以 乙腈 为溶剂， 生成 Hexadecyl-(2-hydroxyethyl)-dimethylazanium;4-methylbenzenesulfonate
  参考文献：
  名称：

  Synthesis and biological activity of dialkylphosphocholines

  摘要：

  A series of dialkylphosphocholines were prepared and evaluated for their biological activity. The antiprotozoal activity was determined against Acanthamoeba lugdunensis. Compound 15 exhibited excellent trophocidal activity. None of the tested dialkylphosphocholines exhibited better fungicidal activity against Candida albicans than miltefosine. The antineoplastic activity was determined against HeLa. The most cytotoxic was compound 10, which was more active against tumor cells as against normal cells. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.079

文献信息

• Synthesis and biological activity of dialkylphosphocholines
  作者：Miloš Lukáč、Martin Mrva、Eva Fischer-Fodor、Ivan Lacko、Marián Bukovský、Natalia Miklášová、František Ondriska、Ferdinand Devínsky

  DOI：10.1016/j.bmcl.2009.09.079

  日期：2009.11

  A series of dialkylphosphocholines were prepared and evaluated for their biological activity. The antiprotozoal activity was determined against Acanthamoeba lugdunensis. Compound 15 exhibited excellent trophocidal activity. None of the tested dialkylphosphocholines exhibited better fungicidal activity against Candida albicans than miltefosine. The antineoplastic activity was determined against HeLa. The most cytotoxic was compound 10, which was more active against tumor cells as against normal cells. (C) 2009 Elsevier Ltd. All rights reserved.