6-chloro-4-isopropyl-N-(tetrahydro-pyran-4-ylmethyl)-nicotinamide | 676626-76-9

• 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-4-isopropyl-N-(tetrahydro-pyran-4-ylmethyl)-nicotinamide
• 英文别名: 6-chloro-4-isopropyl-N-(tetrahydropyran-4-ylmethyl)-nicotinamide；6-chloro-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
• CAS: 676626-76-9
• 化学式: C₁₅H₂₁ClN₂O₂
• 分子量: 296.797
• InChiKey: BYKXYDVJEFGULP-UHFFFAOYSA-N

物化性质

• 沸点：
  445.5±45.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-chloro-4-isopropyl-N-(tetrahydro-pyran-4-ylmethyl)-nicotinamide 、 3,5-二氯苯胺 在 甲烷磺酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 6-(3,5-dichloro-phenylamino)-4-isopropyl-N-(tetrahydro-pyran-4-ylmethyl)-nicotinamide
  参考文献：
  名称：

  [EN] PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS
  [FR] DERIVES DE PYRIDINE MODULATEURS DU RECEPTEUR CB2

  摘要：

  本发明涉及新型吡啶衍生物，含有这些化合物的药物组合物以及它们在治疗疾病，特别是由大麻素受体活性增加或减少直接或间接引起的疾病中的应用。

  公开号：

  WO2004029026A1
• 作为产物：
  描述：

  6-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide 、 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-4-isopropyl-N-(tetrahydro-pyran-4-ylmethyl)-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] COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE<br/>[FR] COMBINAISON DE MODULATEURS DU CB2 ET D'INHIBITEURS DE LA PDE4 UTILISEE EN MEDECINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005074939A1

  公开（公告）日：2005-08-18

  Combination of one or more CB2 modulators such as a compound of formula (I), (II) and (III); and one more PDE4 inhibitors are useful of treating conditions which are mediated by the activity of CB2 receptors or conditions which are mediated by PDE4, such as an immune disorder, an inflamatory disorder, pain, rheumatoid.

  一种或多种CB2调节剂的组合，例如式(I)、(II)和(III)的化合物；以及一种或多种PDE4抑制剂对于治疗由CB2受体活性介导的疾病或由PDE4介导的疾病，如免疫紊乱、炎症性疾病、疼痛、类风湿等症状是有用的。
• [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 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。
• Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine
  申请人：Brown Andrew James

  公开号：US20080132505A1

  公开（公告）日：2008-06-05

  Combination of one or more CB2 modulators and one or more PDE4 inhibitors, and method of treating conditions which are mediated by the activity of CB2 receptors or conditions which are mediated by PDE4.

  一种由一种或多种CB2调节剂和一种或多种PDE4抑制剂组合而成的治疗方法，用于治疗由CB2受体活性介导的疾病或由PDE4介导的疾病。
• 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。