1,3-Dimethyl-7-(3-methylbutyl)-8-(morpholin-4-ylmethyl)purine-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: 1,3-Dimethyl-7-(3-methylbutyl)-8-(morpholin-4-ylmethyl)purine-2,6-dione
• 化学式: C₁₇H₂₇N₅O₃
• 分子量: 349.4
• InChiKey: RWDUJGFYBUYWIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• COMPOSITIONS OF ALDH1A1 INHIBITORS AND METHODS OF USE IN TREATING CANCER
  申请人：Indiana University Research & Technology Corporation

  公开号：US20150306108A1

  公开（公告）日：2015-10-29

  The present invention provides inhibitors of ALDH1A1 activity which have substantially no effect on either ALDH2 or ALDH3A1. Compositions and methods of use, as well as methods to treat cancer using the ALDH1A1 inhibitors, are also provided.