N-[1-(7-chloro-4-quinolyl)-4-piperidyl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine | 1123619-93-1

• 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-[1-(7-chloro-4-quinolyl)-4-piperidyl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
• 英文别名: N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
• CAS: 1123619-93-1
• 化学式: C₂₈H₂₅ClFN₅
• 分子量: 485.991
• InChiKey: PLLAJNLKAWWLGN-UHFFFAOYSA-N

物化性质

• 沸点：
  698.9±65.0 °C(predicted)
• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯苯并咪唑 在 sodium hydroxide 作用下， 以 N-甲基吡咯烷酮 、 乙腈 为溶剂， 反应 8.0h， 生成 N-[1-(7-chloro-4-quinolyl)-4-piperidyl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-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.