2-(Azepan-1-yl)-5-(2,3-dichlorophenyl)pyridine-4-carbonitrile | 1202243-17-1

• 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: 2-(Azepan-1-yl)-5-(2,3-dichlorophenyl)pyridine-4-carbonitrile
• CAS: 1202243-17-1
• 化学式: C₁₈H₁₇Cl₂N₃
• 分子量: 346.259
• InChiKey: WMGKBTIYUNMURT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(azepan-1-yl)-5-chloroisonicotinonitrile 、 3,4-二氯苯硼酸 在 potassium fluoride 、 tris-(dibenzylideneacetone)dipalladium(0) 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 1,4-二氧六环 为溶剂， 以20%的产率得到2-(Azepan-1-yl)-5-(2,3-dichlorophenyl)pyridine-4-carbonitrile
  参考文献：
  名称：

  2-Amino-5-aryl-pyridines as selective CB2 agonists: Synthesis and investigation of structure–activity relationships

  摘要：

  2-Amino-5-aryl-pyridines, exemplified by compound 1, had been identified as a synthetically tractable series of CB2 agonists from a high-throughput screen of the GlaxoSmithKline compound collection. Described herein are the results of an investigation of the structure-activity relationships (SAR) which led to the identification a number of potent and selective agonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.041

文献信息

• 2-Amino-5-aryl-pyridines as selective CB2 agonists: Synthesis and investigation of structure–activity relationships
  作者：Robert J. Gleave、Paul J. Beswick、Andrew J. Brown、Gerard M.P. Giblin、Carl P. Haslam、David Livermore、Andrew Moses、Neville H. Nicholson、Lee W. Page、Brian Slingsby、Martin E. Swarbrick

  DOI：10.1016/j.bmcl.2009.10.041

  日期：2009.12

  2-Amino-5-aryl-pyridines, exemplified by compound 1, had been identified as a synthetically tractable series of CB2 agonists from a high-throughput screen of the GlaxoSmithKline compound collection. Described herein are the results of an investigation of the structure-activity relationships (SAR) which led to the identification a number of potent and selective agonists. (C) 2009 Elsevier Ltd. All rights reserved.