7-chloro-N-[3-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]propyl]quinolin-4-amine | 1123619-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-chloro-N-[3-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]propyl]quinolin-4-amine
• CAS: 1123619-88-4
• 化学式: C₃₀H₃₀ClFN₆
• 分子量: 529.06
• InChiKey: WXSAGLCBIDTEKI-UHFFFAOYSA-N

物化性质

• 沸点：
  740.5±70.0 °C(predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[(7-chloroquinolin-4-yl)amino]propan-1-ol 在 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 29.0h， 生成 7-chloro-N-[3-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]propyl]quinolin-4-amine
  参考文献：
  名称：

  Chloroquine–astemizole hybrids with potent in vitro and in vivo antiplasmodial activity

  摘要：

  A dual activity, conjugated approach has been taken to form hybrid molecules of two known antimalarial drugs, chloroquine (CQ) and the non-sedating H1 antagonist astemizole. A variety of linkers were investigated to conjugate the two agents into one molecule. Compounds 5-8 possessed improved in vitro activity against a CQ-resistant strain of Plasmodium falciparum, and examples 7 and 8 were active in vivo in mouse models of malaria. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.047

文献信息

• Chloroquine–astemizole hybrids with potent in vitro and in vivo antiplasmodial activity
  作者：Chitalu C. Musonda、Gavin A. Whitlock、Michael J. Witty、Reto Brun、Marcel Kaiser

  DOI：10.1016/j.bmcl.2008.11.047

  日期：2009.1

  A dual activity, conjugated approach has been taken to form hybrid molecules of two known antimalarial drugs, chloroquine (CQ) and the non-sedating H1 antagonist astemizole. A variety of linkers were investigated to conjugate the two agents into one molecule. Compounds 5-8 possessed improved in vitro activity against a CQ-resistant strain of Plasmodium falciparum, and examples 7 and 8 were active in vivo in mouse models of malaria. (C) 2008 Elsevier Ltd. All rights reserved.