4-hydroxy-N-[(E)-propylideneamino]benzamide | 1004780-88-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-hydroxy-N-[(E)-propylideneamino]benzamide
• CAS: 1004780-88-4
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: SJLOOKSGZSXPGH-YRNVUSSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-羟基苯甲酰肼 、 丙醛 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-hydroxy-N-[(E)-propylideneamino]benzamide
  参考文献：
  名称：

  On the Intractability of Estrogen-Related Receptor α as a Target for Activation by Small Molecules

  摘要：

  The estrogen-related receptor alpha (ERR alpha) is a potential target for activation in the treatment of metabolic disease. To date, no small-molecule agonists of ERR alpha have been identified despite several high-throughput screening campaigns. We describe the synthesis and profiling of a small array of compounds designed on the basis of a previously reported agonist-bound crystal structure of the closely related receptor ERR gamma. The results suggest that ERRa may be intractable as a direct target for pharmacologic activation.

  DOI：

  10.1021/jm7012387

文献信息

• On the Intractability of Estrogen-Related Receptor α as a Target for Activation by Small Molecules
  作者：Stephen M. Hyatt、Elizabeth L. Lockamy、Rebecca A. Stein、Donald P. McDonnell、Aaron B. Miller、Lisa A. Orband-Miller、Timothy M. Willson、William J. Zuercher

  DOI：10.1021/jm7012387

  日期：2007.12.27

  The estrogen-related receptor alpha (ERR alpha) is a potential target for activation in the treatment of metabolic disease. To date, no small-molecule agonists of ERR alpha have been identified despite several high-throughput screening campaigns. We describe the synthesis and profiling of a small array of compounds designed on the basis of a previously reported agonist-bound crystal structure of the closely related receptor ERR gamma. The results suggest that ERRa may be intractable as a direct target for pharmacologic activation.