N,N'-bis(tert-butoxycarbonyl)-N''-[2-(7-chloroquinolin-4-ylamino)ethyl]guanidine | 849179-94-8

• 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,N'-bis(tert-butoxycarbonyl)-N''-[2-(7-chloroquinolin-4-ylamino)ethyl]guanidine
• CAS: 849179-94-8
• 化学式: C₂₂H₃₀ClN₅O₄
• 分子量: 463.964
• InChiKey: GQUGDUDSADINNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.71
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  113.94
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N,N'-bis(tert-butoxycarbonyl)-N''-[2-(7-chloroquinolin-4-ylamino)ethyl]guanidine 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以55%的产率得到N-[2-(7-chloroquinolin-4-ylamino)ethyll]guanidine hydrochloride
  参考文献：
  名称：

  Design and synthesis of new antimalarial agents from 4-aminoquinoline

  摘要：

  This study describes the synthesis of new 4-aminoquinoline derivatives and evaluation of their activity against a chloroquine sensitive strain of P. falciparum in vitro and chloroquine resistant N-67 strain of P. yoelii in vivo. All the analogues were found to form strong complex with hematin and inhibit the P-hematin formation in vitro. These results suggest that these compounds act on heme polymerization target. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.12.051
• 作为产物：
  描述：

  4,7-二氯喹啉 以 四氢呋喃 、 水 为溶剂， 反应 6.0h， 生成 N,N'-bis(tert-butoxycarbonyl)-N''-[2-(7-chloroquinolin-4-ylamino)ethyl]guanidine
  参考文献：
  名称：

  Design and synthesis of new antimalarial agents from 4-aminoquinoline

  摘要：

  This study describes the synthesis of new 4-aminoquinoline derivatives and evaluation of their activity against a chloroquine sensitive strain of P. falciparum in vitro and chloroquine resistant N-67 strain of P. yoelii in vivo. All the analogues were found to form strong complex with hematin and inhibit the P-hematin formation in vitro. These results suggest that these compounds act on heme polymerization target. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.12.051