5,6-di-p-tolylpyrazine-2-carbonyl chloride | 945757-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5,6-di-p-tolylpyrazine-2-carbonyl chloride
• CAS: 945757-15-3
• 化学式: C₁₉H₁₅ClN₂O
• 分子量: 322.794
• InChiKey: QGLGYFDYAZTKNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  42.85
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5,6-di-p-tolylpyrazine-2-carbonyl chloride 、 1-氨基哌啶 在 PS-DIEA 作用下， 以 二氯甲烷 为溶剂， 生成 N-(piperidin-1-yl)-5,6-dip-tolylpyrazine-2-carboxamide
  参考文献：
  名称：

  Discovery of pyrazine carboxamide CB1 antagonists: The introduction of a hydroxyl group improves the pharmaceutical properties and in vivo efficacy of the series

  摘要：

  Structure-activity relationships for a series of pyrazine carboxamide CB1 antagonists are reported. Pharmaceutical properties of the series are improved via inclusion of hydroxyl-containing sidechains. This structural modification sufficiently improved ADME properties of an orally inactive series such that food intake reduction was achieved in rat feeding models. Compound 35 elicits a 46% reduction in food intake in ad libidum fed rats 4-h post-dose. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.087
• 作为产物：
  描述：

  Methyl 5,6-bis-(4-methylphenyl)pyrazin-2-carboxylate 在 lithium hydroxide 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 5,6-di-p-tolylpyrazine-2-carbonyl chloride
  参考文献：
  名称：

  Discovery of pyrazine carboxamide CB1 antagonists: The introduction of a hydroxyl group improves the pharmaceutical properties and in vivo efficacy of the series

  摘要：

  Structure-activity relationships for a series of pyrazine carboxamide CB1 antagonists are reported. Pharmaceutical properties of the series are improved via inclusion of hydroxyl-containing sidechains. This structural modification sufficiently improved ADME properties of an orally inactive series such that food intake reduction was achieved in rat feeding models. Compound 35 elicits a 46% reduction in food intake in ad libidum fed rats 4-h post-dose. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.087