N-cyclobutylmethyl-6-(2-methoxy-5-chloro-phenylamino)-4-trifluoromethyl-nicotinamide | 676630-77-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-cyclobutylmethyl-6-(2-methoxy-5-chloro-phenylamino)-4-trifluoromethyl-nicotinamide
• 英文别名: 6-(5-chloro-2-methoxyanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
• CAS: 676630-77-6
• 化学式: C₁₉H₁₉ClF₃N₃O₂
• 分子量: 413.827
• InChiKey: MMKZUMQWHYJFRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-((5-chloro-2-methoxyphenyl)amino)-4-(trifluoromethyl)nicotinic acid 、 环丁基甲胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 N-cyclobutylmethyl-6-(2-methoxy-5-chloro-phenylamino)-4-trifluoromethyl-nicotinamide
  参考文献：
  名称：

  Pyridine-3-carboxamides as novel CB2 agonists for analgesia

  摘要：

  We describe herein the medicinal chemistry approach which led to the discovery of a novel pyridine-3-carboxamide series of CB(2) receptor agonists. The SAR of this new template was evaluated and culminated in the identification of analogue 14a which demonstrated efficacy in an in vivo model of inflammatory pain. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.118

文献信息

• Pyridine derivatives as cb2 receptor modulators
  申请人：Eatherton John Andrew

  公开号：US20060240048A1

  公开（公告）日：2006-10-26

  The present invention relates to novel pyridine derivatives, pharmaceutical compositions containing these compounds and their use in the treatment of diseases, particularly pain, which diseases are caused directly or indirectly by an increase or decrease in activity of the cannabinoid receptor.

  本发明涉及新型的吡啶衍生物、含有这些化合物的药物组合物以及它们在治疗疾病，特别是由于大麻素受体活性增加或减少而直接或间接引起的疼痛等疾病中的应用。
• PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1565442B1

  公开（公告）日：2007-11-14
• Pyridine-3-carboxamides as novel CB2 agonists for analgesia
  作者：William L. Mitchell、Gerard M.P. Giblin、Alan Naylor、Andrew J. Eatherton、Brian P. Slingsby、Anthony D. Rawlings、Karamjit S. Jandu、Carl P. Haslam、Andrew J. Brown、Paul Goldsmith、Nick M. Clayton、Alex W. Wilson、Iain P. Chessell、Richard H. Green、Andrew R. Whittington、Ian D. Wall

  DOI：10.1016/j.bmcl.2008.10.118

  日期：2009.1

  We describe herein the medicinal chemistry approach which led to the discovery of a novel pyridine-3-carboxamide series of CB(2) receptor agonists. The SAR of this new template was evaluated and culminated in the identification of analogue 14a which demonstrated efficacy in an in vivo model of inflammatory pain. (C) 2008 Elsevier Ltd. All rights reserved.