1-(cyclopropylmethyl)-2-((5-ethoxypyridin-2-yl)methyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide | 1046140-67-3

• 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-(cyclopropylmethyl)-2-((5-ethoxypyridin-2-yl)methyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
• 英文别名: 1-(cyclopropylmethyl)-2-[(5-ethoxypyridin-2-yl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
• CAS: 1046140-67-3
• 化学式: C₂₄H₃₀N₄O₂
• 分子量: 406.528
• InChiKey: RJYQAFGYQJXSBT-UHFFFAOYSA-N

物化性质

• 沸点：
  626.3±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-1H-benzimidazole-5-carboxylic acid 、 二乙胺 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 1-(cyclopropylmethyl)-2-((5-ethoxypyridin-2-yl)methyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
  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.