3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)-N-methylpropan-1-amine | 1067912-00-8

• 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: 3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)-N-methylpropan-1-amine
• 英文别名: 3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]-N-methylpropan-1-amine
• CAS: 1067912-00-8
• 化学式: C₂₂H₂₁FN₄O
• 分子量: 376.433
• InChiKey: BAMHLWXAOUZMMD-UHFFFAOYSA-N

物化性质

• 沸点：
  589.1±60.0 °C(predicted)
• 密度：
  1.23±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-[4-(3-Chloropropoxy)phenyl]-5-fluoro-2-pyridin-2-ylbenzimidazole 、 甲胺 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 72.0h， 生成 3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)-N-methylpropan-1-amine
  参考文献：
  名称：

  Benzimidazole-substituted (3-phenoxypropyl)amines as histamine H3 receptor ligands

  摘要：

  A series of non-imidazole histamine H-3 receptor antagonists based on the (3-phenoxypropyl)amine motif, which is a common pharmacophore for H-3 antagonists, has been identified. A preliminary SAR study around the amine moiety has identified 8a as a potent H-3 antagonist possessing a good pharmacokinetic profile in the rat. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.008

文献信息

• Benzimidazole-substituted (3-phenoxypropyl)amines as histamine H3 receptor ligands
  作者：Robert Aslanian、Xiaohong Zhu、Henry A. Vaccaro、Neng-Yang Shih、John J. Piwinski、Shirley M. Williams、Robert E. West

  DOI：10.1016/j.bmcl.2008.08.008

  日期：2008.9

  A series of non-imidazole histamine H-3 receptor antagonists based on the (3-phenoxypropyl)amine motif, which is a common pharmacophore for H-3 antagonists, has been identified. A preliminary SAR study around the amine moiety has identified 8a as a potent H-3 antagonist possessing a good pharmacokinetic profile in the rat. (C) 2008 Elsevier Ltd. All rights reserved.