Acyl Hydrazone, 8

• 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: Acyl Hydrazone, 8
• 英文别名: 4-amino-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
• 化学式: C₁₈H₂₂N₄O
• 分子量: 310.399
• InChiKey: WBNPZDJIFBDPOL-DEDYPNTBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-二乙基-4-氨基苯甲醛 、 4-氨基苯甲酰肼 以 丙醇 为溶剂， 生成 Acyl Hydrazone, 8
  参考文献：
  名称：

  Identification and Structure−Activity Relationship of Phenolic Acyl Hydrazones as Selective Agonists for the Estrogen-Related Orphan Nuclear Receptors ERRβ and ERRγ

  摘要：

  The first small molecule agonists of the estrogen-related receptors have been identified. GSK4716 (3) and GSK9089 (4) show binding to ERRγ with remarkable selectivity over the classical estrogen receptors. Notably, in cell-based reporter assays, 3 mimics the protein ligand PGC-1α in activation of human ERRβ and ERRγ.

  DOI：

  10.1021/jm050161j

文献信息

• Identification and Structure−Activity Relationship of Phenolic Acyl Hydrazones as Selective Agonists for the Estrogen-Related Orphan Nuclear Receptors ERRβ and ERRγ
  作者：William J. Zuercher、Stéphanie Gaillard、Lisa A. Orband-Miller、Esther Y. H. Chao、Barry G. Shearer、David G. Jones、Aaron B. Miller、Jon L. Collins、Donald P. McDonnell、Timothy M. Willson

  DOI：10.1021/jm050161j

  日期：2005.5.1

  The first small molecule agonists of the estrogen-related receptors have been identified. GSK4716 (3) and GSK9089 (4) show binding to ERRγ with remarkable selectivity over the classical estrogen receptors. Notably, in cell-based reporter assays, 3 mimics the protein ligand PGC-1α in activation of human ERRβ and ERRγ.