N,N'-bis-(3-methoxybenzylidene)naphthalene-1,4-diamine

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N,N'-bis-(3-methoxybenzylidene)naphthalene-1,4-diamine
• 化学式: C₂₆H₂₂N₂O₂
• 分子量: 394.473
• InChiKey: BHEBJWZUQHABQJ-XUIWWLCJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.36
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  43.18
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-苯偶氮-1-萘胺盐酸盐 在 盐酸 、 锌 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 48.0h， 生成 N,N'-bis-(3-methoxybenzylidene)naphthalene-1,4-diamine
  参考文献：
  名称：

  N,N‘-Bisbenzylidenebenzene-1,4-diamines and N,N‘-Bisbenzylidenenaphthalene-1,4-diamines as Sirtuin Type 2 (SIRT2) Inhibitors

  摘要：

  A series of N,N'-bisbenzylidenebenzene-1,4-diamine and N,N'-bisbenzylidenenaphthalene-1,4-diamine derivatives were synthesized as inhibitors for human sirtuin type 2 (SIRT2). The design of the new compounds was based on two earlier reported hits from molecular modeling and virtual screening. The most potent compound was N,N'-bis(2-hydroxybenzylidene)benzene-1,4-diamine, which was equipotent with the most potent hit compound and well-known SIRT2 inhibitor sirtinol.

  DOI：

  10.1021/jm060566j

文献信息

• <i>N,N</i>‘-Bisbenzylidenebenzene-1,4-diamines and <i>N,N</i>‘-Bisbenzylidenenaphthalene-1,4-diamines as Sirtuin Type 2 (SIRT2) Inhibitors
  作者：Päivi H. Kiviranta、Jukka Leppänen、Sergiy Kyrylenko、Heikki S. Salo、Maija Lahtela-Kakkonen、Anu J. Tervo、Carsten Wittekindt、Tiina Suuronen、Erkki Kuusisto、Tomi Järvinen、Antero Salminen、Antti Poso、Erik A. A. Wallén

  DOI：10.1021/jm060566j

  日期：2006.12.1

  A series of N,N'-bisbenzylidenebenzene-1,4-diamine and N,N'-bisbenzylidenenaphthalene-1,4-diamine derivatives were synthesized as inhibitors for human sirtuin type 2 (SIRT2). The design of the new compounds was based on two earlier reported hits from molecular modeling and virtual screening. The most potent compound was N,N'-bis(2-hydroxybenzylidene)benzene-1,4-diamine, which was equipotent with the most potent hit compound and well-known SIRT2 inhibitor sirtinol.