4-Oxo-4-phenyl-N-pyridin-3-yl-butyramide | 766523-13-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Oxo-4-phenyl-N-pyridin-3-yl-butyramide
• 英文别名: 4-oxo-4-phenyl-N-pyridin-3-ylbutanamide
• CAS: 766523-13-1
• 化学式: C₁₅H₁₄N₂O₂
• 分子量: 254.288
• InChiKey: IBZIENNCLMHLKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Oxo-4-phenyl-N-pyridin-3-yl-butyramide 在 五氯化磷 、 叠氮基三甲基硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 18.25h， 生成 C₁₅H₁₃N₅O
  参考文献：
  名称：

  Modulation of 11β-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles

  摘要：

  Inhibitors of 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11 beta-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess good cellular potency in human and murine 11 beta-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.055
• 作为产物：
  描述：

  3-氨基吡啶 、 3-苯丙烯溴酸酯 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 生成 4-Oxo-4-phenyl-N-pyridin-3-yl-butyramide
  参考文献：
  名称：

  Modulation of 11β-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles

  摘要：

  Inhibitors of 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11 beta-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess good cellular potency in human and murine 11 beta-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.055