1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)-1,3,3-trimethylurea | 1046140-71-9

• 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-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)-1,3,3-trimethylurea
• 英文别名: 1-[1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-1,3,3-trimethylurea
• CAS: 1046140-71-9
• 化学式: C₂₄H₃₀N₄O₂
• 分子量: 406.528
• InChiKey: FLQBXYKSPXEKRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(cyclopropylmethyl)-2-(4-ethoxybenzyl)-N-methyl-1H-benzimidazol-5-amine 、 二甲氨基甲酰氯 在 三乙胺 作用下， 以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 为溶剂， 反应 1.0h， 生成 1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[d]imidazol-5-yl)-1,3,3-trimethylurea
  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.