N1,N1-dibenzyl-N2-(2-(7-chloroquinolin-4-ylamino)ethyl)-N2-(2-(dibenzylamino)ethyl)ethane-1,2-diamine | 1201947-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N1,N1-dibenzyl-N2-(2-(7-chloroquinolin-4-ylamino)ethyl)-N2-(2-(dibenzylamino)ethyl)ethane-1,2-diamine
• 英文别名: N-(7-chloroquinolin-4-yl)-N',N'-bis[2-(dibenzylamino)ethyl]ethane-1,2-diamine
• CAS: 1201947-01-4
• 化学式: C₄₃H₄₆ClN₅
• 分子量: 668.325
• InChiKey: QYKNYRVSOKBIMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  49
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  34.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(2-氨基乙基)氨基-7-氯喹啉 、 地苯那明 在 碘 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以5%的产率得到N1,N1-dibenzyl-N2-(2-(7-chloroquinolin-4-ylamino)ethyl)ethane-1,2-diamine
  参考文献：
  名称：

  Reversal Agent and Linker Variants of Reversed Chloroquines: Activities against Plasmodium falciparum

  摘要：

  We have shown that "reversed chloroquine molecules" constructed from chloroquine-like and resistance "reversal-agent"-like cores can be powerful drugs against malaria (J. Med. Chem. 2006, 49, 5623-5625). Several reversed chloroquines are now presented that probe parameters governing the activities against chloroquine-resistant and chloroquine-sensitive malaria strains. The design is tolerant to linker and reversal agent changes, but it piperazinyl group adjacent to the quinoline, at least for the group Of Compounds studied here, may be detrimental.

  DOI：

  10.1021/jm900972u

文献信息

• Reversal Agent and Linker Variants of Reversed Chloroquines: Activities against <i>Plasmodium falciparum</i>
  作者：Simeon Andrews、Steven J. Burgess、Deborah Skaalrud、Jane Xu Kelly、David H. Peyton

  DOI：10.1021/jm900972u

  日期：2010.1.28

  We have shown that "reversed chloroquine molecules" constructed from chloroquine-like and resistance "reversal-agent"-like cores can be powerful drugs against malaria (J. Med. Chem. 2006, 49, 5623-5625). Several reversed chloroquines are now presented that probe parameters governing the activities against chloroquine-resistant and chloroquine-sensitive malaria strains. The design is tolerant to linker and reversal agent changes, but it piperazinyl group adjacent to the quinoline, at least for the group Of Compounds studied here, may be detrimental.