3-amino-4-[(cyclohexylmethyl)amino]-N,N-diethylbenzamide | 809273-50-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-amino-4-[(cyclohexylmethyl)amino]-N,N-diethylbenzamide
• 英文别名: 3-Amino-4[(cyclohexylmethyl)amino]-N,N-diethylbenzamide；3-amino-4-(cyclohexylmethylamino)-N,N-diethylbenzamide
• CAS: 809273-50-5
• 化学式: C₁₈H₂₉N₃O
• 分子量: 303.448
• InChiKey: KNZKNXSKAQDBFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-乙基氧丙基乙酸酯 、 3-amino-4-[(cyclohexylmethyl)amino]-N,N-diethylbenzamide 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 3.0h， 生成
  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
• 作为产物：
  描述：

  4-[(cyclohexylmethyl)amino]-N,N-diethyl-3-nitrobenzamide 在 钯 作用下， 以 乙酸乙酯 为溶剂， 生成 3-amino-4-[(cyclohexylmethyl)amino]-N,N-diethylbenzamide
  参考文献：
  名称：

  Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof

  摘要：

  化合物的式子（I）或其药学上可接受的盐：其中R1、R2、R3、R4和Z的定义在说明书中，同时还制备了包括该化合物的盐和药物组合物。它们在治疗中有用，特别是在疼痛管理方面。

  公开号：

  US20070060583A1

文献信息

• [EN] BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF<br/>[FR] DERIVES DE BENZIMIDAZOLE, COMPOSITIONS LES CONTENANT, LEUR PREPARATION ET LEURS UTILISATIONS
  申请人：ASTRAZENECA AB

  公开号：WO2004108688A1

  公开（公告）日：2004-12-16

  Compounds of formula (I) or pharmaceutically acceptable salts thereof: wherein R1, R2, R3, R4 and Z are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  化合物的化学式（I）或其药用盐：其中R1、R2、R3、R4和Z的定义如规范中所述，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理方面。
• Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof
  申请人：Liu Ziping

  公开号：US20070060583A1

  公开（公告）日：2007-03-15

  Compounds of formula (I) or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 , R 3 , R 4 and Z are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  化合物的式子（I）或其药学上可接受的盐：其中R1、R2、R3、R4和Z的定义在说明书中，同时还制备了包括该化合物的盐和药物组合物。它们在治疗中有用，特别是在疼痛管理方面。
• BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF
  申请人：AstraZeneca AB

  公开号：EP1636193A1

  公开（公告）日：2006-03-22
• US7517898B2
  申请人：——

  公开号：US7517898B2

  公开（公告）日：2009-04-14
• 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.