N-(7-chloroquinolin-4-yl)-N'-(2-dibenzylaminoethyl)-propane-1,3-diamine | 907193-98-0

• 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: N-(7-chloroquinolin-4-yl)-N'-(2-dibenzylaminoethyl)-propane-1,3-diamine
• 英文别名: N'-(7-chloroquinolin-4-yl)-N-[2-(dibenzylamino)ethyl]propane-1,3-diamine
• CAS: 907193-98-0
• 化学式: C₂₈H₃₁ClN₄
• 分子量: 459.034
• InChiKey: STTZUIFLMLCVSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(7-chloroquinolin-4-ylamino)propyl methanesulfonate 、 N,N’-二苄基乙二胺 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以4%的产率得到N-(7-chloroquinolin-4-yl)-N'-(2-dibenzylaminoethyl)-propane-1,3-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

• Quinoline Derivatives And Uses Thereof
  申请人：Peyton David H.

  公开号：US20080188462A1

  公开（公告）日：2008-08-07

  This disclosure provides a new class of compounds referred to as “reversed chloroquines” (RCQs), which are highly effective against CQ R and CQ S malaria parasites. RCQs are hybrid molecules, which include an antimalarial quinoline analog (such as chloroquine) moiety and a CQ R reversal moiety. Exemplary RCQ chemical structures are provided. Also provided are pharmaceutical compositions including the disclosed RCQ compounds, and methods of using such compounds and compositions for the treatment of malaria and inhibition of CQ R or CQ S Plasmodium sp. (such as P. falciparum ).
• QUINOLINE DERIVATIVES AND USES THEREOF
  申请人：PEYTON David H.

  公开号：US20110257160A1

  公开（公告）日：2011-10-20

  This disclosure provides a new class of compounds referred to as “reversed chloroquines” (RCQs), which are highly effective against CQ R and CQ S malaria parasites. RCQs are hybrid molecules, which include an antimalarial quinoline analog (such as chloroquine) moiety and a CQ R reversal moiety. Exemplary RCQ chemical structures are provided. Also provided are pharmaceutical compositions including the disclosed RCQ compounds, and methods of using such compounds and compositions for the treatment of malaria and inhibition of CQ R or CQ S Plasmodium sp. (such as P. falciparum ).
• US7968539B2
  申请人：——

  公开号：US7968539B2

  公开（公告）日：2011-06-28
• US8524739B2
  申请人：——

  公开号：US8524739B2

  公开（公告）日：2013-09-03
• US9493420B2
  申请人：——

  公开号：US9493420B2

  公开（公告）日：2016-11-15