6-chloro-N-isobutyl-4-isopropyl-nicotinamide | 863894-27-3

• 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: 6-chloro-N-isobutyl-4-isopropyl-nicotinamide
• 英文别名: 6-chloro-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
• CAS: 863894-27-3
• 化学式: C₁₃H₁₉ClN₂O
• 分子量: 254.76
• InChiKey: KEPUZKNZYFGSFN-UHFFFAOYSA-N

物化性质

• 沸点：
  369.3±42.0 °C(Predicted)
• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-chloro-N-isobutyl-4-isopropyl-nicotinamide 、 3-氯苯胺 生成 6-(3-chloro-phenylamino)-N-isobutyl-4-isopropyl-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
• 作为产物：
  描述：

  6-chloro-N-(2-methylpropyl)-3-pyridinecarboxamide 、 异丙基溴化镁 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 生成 6-chloro-N-isobutyl-4-isopropyl-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

• [EN] PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS<br/>[FR] DERIVES DE PYRIDINE ET LEUR UTILISATION EN TANT QUE MODULATEURS DU RECEPTEUR CB2
  申请人：GLAXO GROUP LTD

  公开号：WO2005080342A1

  公开（公告）日：2005-09-01

  The present invention relates to novel pyridine derivatives such as compounds of the formula (I) and the use of such compounds or pharmaceutical compositions thereof in the treatment of diseases, particularly pain, which are mediated by the activity of the cannabinoid 2 receptor.

  本发明涉及新型吡啶衍生物，如式(I)化合物以及在治疗疾病，特别是通过大麻素2受体活性介导的疼痛方面使用这些化合物或其药物组合物。
• Pyridine Derivatives and Their Use as Cb2 Receptor Modulators
  申请人：Eatherton Andrew John

  公开号：US20080280868A1

  公开（公告）日：2008-11-13

  The present invention relates to novel pyridine derivatives such as compounds of the formula (I): and the use of such compounds or pharmaceutical compositions thereof in the treatment of diseases, particularly pain, which are mediated by the activity of the cannabinoid 2 receptor.

  本发明涉及新型吡啶衍生物，例如式（I）化合物，以及使用这些化合物或其制药组合物治疗疾病，特别是由大麻素2受体活性介导的疼痛。
• PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1718613A1

  公开（公告）日：2006-11-08
• 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.