2H-1,4-Benzoxazine-4-acetamide, 3,4-dihydro-6-methyl-3-oxo-

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2H-1,4-Benzoxazine-4-acetamide, 3,4-dihydro-6-methyl-3-oxo-
• 英文别名: 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
• 化学式: C₁₁H₁₂N₂O₃
• mdl: MFCD07658902
• 分子量: 220.22
• InChiKey: MATMPHDZHIMZRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1
  申请人：McInnes Campbell

  公开号：US20120202970A1

  公开（公告）日：2012-08-09

  Methods for developing non-peptidic inhibitors that target the polo-box domain of PLK1 proteins are described. Methods include developing structure activity relationships for peptidic inhibitors followed by development of non-peptide fragment alternatives for portions of the peptide inhibitors. The non-peptide fragment can provide similar structure activity relationship as the replaced peptide. Fragment alternatives to key binding determinants are identified in an iterative computational and synthetic process facilitated through understanding of the peptide structure-activity relationships. The approach is informed by peptide structure-activity data obtained through synthesis and testing of truncated and mutated analogs of known PBD binding motifs.
• Method of Forming Fragment Ligated Inhibitors
  申请人：University of South Carolina

  公开号：US20160011195A1

  公开（公告）日：2016-01-14

  Methods for developing non-peptidic inhibitors that target the polo-box domain of PLK1 proteins are described. Methods include developing structure activity relationships for peptidic inhibitors followed by development of non-peptide fragment alternatives for portions of the peptide inhibitors. The non-peptide fragment can provide similar structure activity relationship as the replaced peptide. Fragment alternatives to key binding determinants are identified in an iterative computational and synthetic process facilitated through understanding of the peptide structure-activity relationships. The approach is informed by peptide structure-activity data obtained through synthesis and testing of truncated and mutated analogs of known PBD binding motifs.
• US9175357B2
  申请人：——

  公开号：US9175357B2

  公开（公告）日：2015-11-03