1-(4-methoxybenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole | 1186430-61-4

• 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-methoxybenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
• 英文别名: 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole
• CAS: 1186430-61-4
• 化学式: C₂₄H₂₇N₅O
• 分子量: 401.511
• InChiKey: PUYPQZLPNDWKQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲基吡唑 、 1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-4-yl methanesulfonate 生成 1-(4-methoxybenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  Brain-penetrating 2-aminobenzimidazole H1-antihistamines for the treatment of insomnia

  摘要：

  The benzimidazole core of the selective non-brain-penetrating H-1-antihistamine mizolastine was used to identify a series of brain-penetrating H-1-antihistamines for the potential treatment of insomnia. Using cassette PK studies, brain-penetrating H-1-antihistamines were identified and in vivo efficacy was demonstrated in a rat EEG/EMG model. Further optimization focused on strategies to attenuate an identified hERG liability, leading to the discovery of 4i with a promising in vitro pro. le. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.086

文献信息

• Brain-penetrating 2-aminobenzimidazole H1-antihistamines for the treatment of insomnia
  作者：Timothy Coon、Wilna J. Moree、Binfeng Li、Jinghua Yu、Said Zamani-Kord、Siobhan Malany、Mark A. Santos、Lisa M. Hernandez、Robert E. Petroski、Aixia Sun、Jenny Wen、Sue Sullivan、Jason Haelewyn、Michael Hedrick、Samuel J. Hoare、Margaret J. Bradbury、Paul D. Crowe、Graham Beaton

  DOI：10.1016/j.bmcl.2009.05.086

  日期：2009.8

  The benzimidazole core of the selective non-brain-penetrating H-1-antihistamine mizolastine was used to identify a series of brain-penetrating H-1-antihistamines for the potential treatment of insomnia. Using cassette PK studies, brain-penetrating H-1-antihistamines were identified and in vivo efficacy was demonstrated in a rat EEG/EMG model. Further optimization focused on strategies to attenuate an identified hERG liability, leading to the discovery of 4i with a promising in vitro pro. le. (C) 2009 Elsevier Ltd. All rights reserved.