1-(4-fluorobenzyl)-N-(1-isobutylpiperidin-4-yl)-1H-benzo[d]imidazol-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(4-fluorobenzyl)-N-(1-isobutylpiperidin-4-yl)-1H-benzo[d]imidazol-2-amine
• 英文别名: 1-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropyl)piperidin-4-yl]benzimidazol-2-amine
• 化学式: C₂₃H₂₉FN₄
• 分子量: 380.508
• InChiKey: RMBLXFLTAQCIIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N¹-(4-fluorobenzyl)benzene-1,2-diamine 在 氢溴酸 、 sodium hydride 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 1-(4-fluorobenzyl)-N-(1-isobutylpiperidin-4-yl)-1H-benzo[d]imidazol-2-amine
  参考文献：
  名称：

  Astemizole analogues with reduced hERG inhibition as potent antimalarial compounds

  摘要：

  Astemizole is a H-1-antagonist endowed with antimalarial activity, but has hERG liabilities. Systematic structural modifications of astemizole led to the discovery of analogues that display very potent activity as inhibitors of the growth of the Plasmodium parasite, but show a decreased hERG inhibition, when compared to astemizole. These compounds can be used as starting point for the development of a new class of antimalarials. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2017.10.004

文献信息

• Astemizole analogues with reduced hERG inhibition as potent antimalarial compounds
  作者：Junjun Tian、Leen Vandermosten、Steve Peigneur、Lien Moreels、Jef Rozenski、Jan Tytgat、Piet Herdewijn、Philippe E. Van den Steen、Steven De Jonghe

  DOI：10.1016/j.bmc.2017.10.004

  日期：2017.12

  Astemizole is a H-1-antagonist endowed with antimalarial activity, but has hERG liabilities. Systematic structural modifications of astemizole led to the discovery of analogues that display very potent activity as inhibitors of the growth of the Plasmodium parasite, but show a decreased hERG inhibition, when compared to astemizole. These compounds can be used as starting point for the development of a new class of antimalarials. (C) 2017 Elsevier Ltd. All rights reserved.