7-benzyl-8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7-benzyl-8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
• 化学式: C₂₂H₂₁ClN₆O₂
• 分子量: 436.9
• InChiKey: OGSDMSKCBDLLNB-AFUMVMLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  82.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• REL INHIBITORS AND METHODS OF USE THEREOF
  申请人：Chen Youhai H.

  公开号：US20110118325A1

  公开（公告）日：2011-05-19

  This invention provides REL inhibitors which interfere with the DNA binding capacity of a REL protein. Additionally this invention provides methods of treating, abrogating, or preventing diseases which respond with a positive clinical score to a REL inhibitor. Methods of identifying REL inhibitor based on a REL protein three dimensional model are described.