(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)(piperidin-1-yl)methanone | 1046140-66-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)(piperidin-1-yl)methanone
• 英文别名: [1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
• CAS: 1046140-66-2
• 化学式: C₂₆H₃₁N₃O₂
• 分子量: 417.551
• InChiKey: PMJHXDFPKIOWGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  哌啶 、 1-(cyclopropylmethyl)-2-(4-ethoxybenzyl)-1H-benzoimidazole-5-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)(piperidin-1-yl)methanone
  参考文献：
  名称：

  Novel benzimidazole derivatives as selective CB2 agonists

  摘要：

  The preparation and evaluation of a novel class of CB2 agonists based on a benzimidazole moiety are reported. They showed binding affinities up to 1 nM towards the CB2 receptor with partial to full agonist potencies. They also demonstrated good to excellent selectivity (> 1000-fold) over the CB1 receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.073

文献信息

• Novel benzimidazole derivatives as selective CB2 agonists
  作者：Daniel Pagé、Elise Balaux、Luc Boisvert、Ziping Liu、Claire Milburn、Maxime Tremblay、Zhongyong Wei、Simon Woo、Xuehong Luo、Yun-Xing Cheng、Hua Yang、Sanjay Srivastava、Fei Zhou、William Brown、Miroslaw Tomaszewski、Christopher Walpole、Leila Hodzic、Stéphane St-Onge、Claude Godbout、Dominic Salois、Keymal Payza

  DOI：10.1016/j.bmcl.2008.05.073

  日期：2008.7

  The preparation and evaluation of a novel class of CB2 agonists based on a benzimidazole moiety are reported. They showed binding affinities up to 1 nM towards the CB2 receptor with partial to full agonist potencies. They also demonstrated good to excellent selectivity (> 1000-fold) over the CB1 receptor. (C) 2008 Elsevier Ltd. All rights reserved.