1-(6-aminopurin-9-yl)-2-[(4-chlorophenyl)methyl]amino-3-diethylaminopropane | 1269438-59-6

• 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: 1-(6-aminopurin-9-yl)-2-[(4-chlorophenyl)methyl]amino-3-diethylaminopropane
• 英文别名: 3-(6-aminopurin-9-yl)-2-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
• CAS: 1269438-59-6
• 化学式: C₁₉H₂₆ClN₇
• 分子量: 387.915
• InChiKey: NZIBHEVNYLCJJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  腺嘌呤 、 2-(溴甲基)-1-[(4-氯苯基)甲基]氮杂环丙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 7.0h， 生成 1-(6-aminopurin-9-yl)-2-[(4-chlorophenyl)methyl]amino-3-diethylaminopropane
  参考文献：
  名称：

  Synthesis of 2-(aminomethyl)aziridines and their microwave-assisted ring opening to 1,2,3-triaminopropanes as novel antimalarial pharmacophores

  摘要：

  A variety of 2-(aminomethyl)aziridines was prepared and converted into the corresponding 1,2,3-triaminopropanes through a novel, microwave-assisted and regioselective ring opening by diethylamine in acetonitrile. Antiplasmodial assays revealed antimalarial activity for 2-[(1,2,4-triazol-1-yl)methyl]aziridines and 2-(N,N-diethylaminomethyl)aziridines, as well as for the corresponding 1-(diethylamino) propanes obtained through ring opening, pointing to the relevance of both the 2-(aminomethyl)aziridine and the 1,2,3-triaminopropane unit as novel antimalarial pharmacophores. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.037

文献信息

• Synthesis of 2-(aminomethyl)aziridines and their microwave-assisted ring opening to 1,2,3-triaminopropanes as novel antimalarial pharmacophores
  作者：Matthias D’hooghe、Sara Kenis、Karel Vervisch、Carmen Lategan、Peter J. Smith、Kelly Chibale、Norbert De Kimpe

  DOI：10.1016/j.ejmech.2010.11.037

  日期：2011.2

  A variety of 2-(aminomethyl)aziridines was prepared and converted into the corresponding 1,2,3-triaminopropanes through a novel, microwave-assisted and regioselective ring opening by diethylamine in acetonitrile. Antiplasmodial assays revealed antimalarial activity for 2-[(1,2,4-triazol-1-yl)methyl]aziridines and 2-(N,N-diethylaminomethyl)aziridines, as well as for the corresponding 1-(diethylamino) propanes obtained through ring opening, pointing to the relevance of both the 2-(aminomethyl)aziridine and the 1,2,3-triaminopropane unit as novel antimalarial pharmacophores. (C) 2010 Elsevier Masson SAS. All rights reserved.