[3-(Benzotriazol-1-ylmethoxy)-2-phenoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate | 1065273-96-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: [3-(Benzotriazol-1-ylmethoxy)-2-phenoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• CAS: 1065273-96-2
• 化学式: C₂₁H₂₉N₄O₆P
• 分子量: 464.458
• InChiKey: QSUJRXZCWDXNGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 2-氯-2-氧-1,3,2-二氧磷杂环戊烷 、 三甲胺 在 三乙胺 作用下， 生成 [3-(Benzotriazol-1-ylmethoxy)-2-phenoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
  参考文献：
  名称：

  Parallel synthesis and antileishmanial activity of ether-linked phospholipids

  摘要：

  The synthesis and antileishmanial activity of 18 edelfosine analogues are described. Compounds were obtained in parallel combining solid phase and solution phase synthesis. The most active analogue is characterized by the octaclecyl group in position 2 of the glycerol chain. Considering that this substitution determines the loss of antitumor activity, a different mechanism of antileishmanial action can be hypothesized. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.022

文献信息

• Parallel synthesis and antileishmanial activity of ether-linked phospholipids
  作者：Paolo Coghi、Nadia Vaiana、Maria G. Pezzano、Luca Rizzi、Marcel Kaiser、Reto Brun、Sergio Romeo

  DOI：10.1016/j.bmcl.2008.07.022

  日期：2008.8

  The synthesis and antileishmanial activity of 18 edelfosine analogues are described. Compounds were obtained in parallel combining solid phase and solution phase synthesis. The most active analogue is characterized by the octaclecyl group in position 2 of the glycerol chain. Considering that this substitution determines the loss of antitumor activity, a different mechanism of antileishmanial action can be hypothesized. (C) 2008 Elsevier Ltd. All rights reserved.