| 1622386-26-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 1622386-26-8
• 化学式: C₁₉H₂₀N₄O₈
• 分子量: 432.39
• InChiKey: KGRAYEYPXMVIHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.69
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  204.3
• 氢给体数：
  8.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  戊二肼 、 3,4,5-三羟基苯甲醛 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Design and synthesis of phenolic hydrazide hydrazones as potent poly(ADP-ribose) glycohydrolase (PARG) inhibitors

  摘要：

  Poly(ADP-ribose) polymerase (PARP) and poly(ADP-ribose) glycohydrolase (PARG) are enzymes responsible for catalyzing the formation and degradation of poly(ADP-ribose) (PAR) polymers, respectively. Activation of PARP has been shown to be involved in cell death induced by genotoxic stimuli. On the other hand, genetic disruption of PARG also leads to increased level of cell death by accumulation of PAR. Unlike PARP, where significant medicinal effort has been expended to identify potent inhibitors, PARG has been insufficiently investigated as a molecular therapeutic target. In this study, we report the design, synthesis, and biological evaluation of phenolic hydrazide hydrazones as potent PARG inhibitors. Compounds 3d, 3e, 5d, 5e, 8a, 8b and 8c showed their ability to inhibit the catalytic activity of PARG in vitro with IC50 values of 1.0, 2.1, 3.1, 3.2, 3.1, 2.8 and 1.6 μM, respectively.

  DOI：

  10.1016/j.bmcl.2014.06.065