N-Bidesethylchloroquine | 137433-27-3

• 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-Bidesethylchloroquine
• 英文别名: (4R)-4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine
• CAS: 137433-27-3
• 化学式: C₁₄H₁₈ClN₃
• 分子量: 263.76
• InChiKey: GYEDIFVVTRKXHP-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

代谢

(4R)-4-N-(7-氯喹啉-4-基)戊烷-1,4-二胺是(r)-氯喹的已知人体代谢物，N-脱乙基。

(4R)-4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine is a known human metabolite of (r)-chloroquine, N-desethyl.

来源:NORMAN Suspect List Exchange

文献信息

• CHLOROQUINE STEREOISOMER FOR TREATING TUBERCULOSIS RELATED DISEASES
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20160113919A1

  公开（公告）日：2016-04-28

  This disclosure provides a method of treating a subject infected with a mycobacteria of the M. tuberculosis complex or infected with an atypical mycobacterium . Aspects of the method include administering to a subject in need thereof a therapeutically effective amount of an enantiomerically pure (R)-chloroquine agent. The (R)-chloroquine agent may be an analog or derivate of chloroquine having a particular stereochemistry at the position located alpha to the amino-quinoline core of the chloroquine agent. Also provided are methods of inhibiting mycobacteria of the M. tuberculosis complex or other atypical mycobacteria in a cell. Kits and pharmaceutical compositions for practicing the subject methods are also provided.