N-phenyl-2-(2-phenylquinazolin-4-yl)sulfanylacetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-phenyl-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
• 化学式: C₂₂H₁₇N₃OS
• 分子量: 371.5
• InChiKey: LRFAFCGGADUGJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF
  申请人：Huang Lan

  公开号：US20100189648A1

  公开（公告）日：2010-07-29

  A hydrophobic binding pocket on ubiquitin-protein ligase E3 is described, and used in designing the inhibitors disrupting ubiquitin conjugating enzyme E2 and E3 interaction. Four types of inhibitors designed by using the binding pocket are provided, which can be used for cancer treatment.