N-(2-hydroxyethyl)-N-(2-(3-adeninyl)ethyl)methylamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: N-(2-hydroxyethyl)-N-(2-(3-adeninyl)ethyl)methylamine
• 英文别名: 2-[2-(6-aminopurin-3-yl)ethyl-methylamino]ethanol
• 化学式: C₁₀H₁₆N₆O
• 分子量: 236.277
• InChiKey: MQFRPVMKDQEAPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.72
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  93.09
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  恩比兴 、 腺嘌呤 在 sodium hydroxide 、 sodium acetate 作用下， 以 水 为溶剂， 反应 22.0h， 生成 N-(2-hydroxyethyl)-N-(2-(3-adeninyl)ethyl)methylamine
  参考文献：
  名称：

  Alkylation of DNA by the Nitrogen Mustard Bis-(2-chloroethyl)methylamine

  摘要：

  Alkylation of DNA by the nitrogen mustard bis(2-chloroethyl)methylamine (mechlorethamine; HN2) gave four principal products, derived by mono-alkylation of guanine at N-7 and adenine at N-3 and by cross-linking of guanine to guanine or guanine to adenine at these positions. These products were isolated by hydrolysis from DNA at neutral pH, followed by ion-exchange chromatography on SP-Sephadex and reversed phase chromatography on ODS. They were characterized by identification with products from the reaction of nitrogen mustard with adenine or deoxyguanylic acid, and by their UV, mass, and proton magnetic resonance spectra.

  DOI：

  10.1021/tx00044a018

文献信息

• Alkylation of DNA by the Nitrogen Mustard Bis-(2-chloroethyl)methylamine
  作者：Martin R. Osborne、Derry E. V. Wilman、Philip D. Lawley

  DOI：10.1021/tx00044a018

  日期：1995.3

  Alkylation of DNA by the nitrogen mustard bis(2-chloroethyl)methylamine (mechlorethamine; HN2) gave four principal products, derived by mono-alkylation of guanine at N-7 and adenine at N-3 and by cross-linking of guanine to guanine or guanine to adenine at these positions. These products were isolated by hydrolysis from DNA at neutral pH, followed by ion-exchange chromatography on SP-Sephadex and reversed phase chromatography on ODS. They were characterized by identification with products from the reaction of nitrogen mustard with adenine or deoxyguanylic acid, and by their UV, mass, and proton magnetic resonance spectra.