3-methyl-9-(2-oxa-2λ5-2H-1,3,2-oxazaphosphorine-2-cyclohexyl)-3,6,9-triazaspiro[5,5]undecane chloride

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: 3-methyl-9-(2-oxa-2λ5-2H-1,3,2-oxazaphosphorine-2-cyclohexyl)-3,6,9-triazaspiro[5,5]undecane chloride
• 英文别名: 2-(9-Methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-3-yl)-1,3,2lambda5-oxazaphosphinane 2-oxide;chloride；2-(9-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-3-yl)-1,3,2λ5-oxazaphosphinane 2-oxide;chloride
• 化学式: C₁₂H₂₆N₄O₂P*Cl
• 分子量: 324.791
• InChiKey: PFRBAWLYBBDVJE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.81
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 环磷酰胺 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 生成 3-methyl-9-(2-oxa-2λ5-2H-1,3,2-oxazaphosphorine-2-cyclohexyl)-3,6,9-triazaspiro[5,5]undecane chloride
  参考文献：
  名称：

  Novel class of cyclophosphamide prodrug: Cyclophosphamide spiropiperaziniums (CPSP)

  摘要：

  A novel class of cyclophosphamide spiropiperaziniums was synthesized and evaluated for their in vivo anti-cancer activities against S-180 and H-22. Most of them exhibited definite activities. Especially, compounds 8b and 8k showed good anti-cancer activities, meanwhile, 8k also showed much lower toxicity than CP. Several interesting structure-activity relationships were revealed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.049