7-(ss-Hydroxyaethyl)-6-thiotheophyllin | 1784-66-3

• 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-(ss-Hydroxyaethyl)-6-thiotheophyllin
• 英文别名: 7-(2-hydroxy-ethyl)-1,3-dimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one；7-(2-Hydroxyethyl)-1,3-dimethyl-6-sulfanylidenepurin-2-one
• CAS: 1784-66-3
• 化学式: C₉H₁₂N₄O₂S
• 分子量: 240.286
• InChiKey: NXTFWFFMUAMIMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  93.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF
  申请人：Board of Regents, The University of Texas System

  公开号：US20220202821A1

  公开（公告）日：2022-06-30

  The present disclosure provides methods of inhibiting PARG in cancer cells, including methods comprising administering a PARG inhibitor that modulates position Tyr795 in PARG. Also provided herein are methods of treating and/or preventing cancer comprising administering a PARG inhibitor. In some embodiments, the PARG inhibitors are of the formula: wherein the variables are defined herein.