7-γ-Phthalimidopropyl-8-chlortheophyllin | 50454-49-4

• 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-γ-Phthalimidopropyl-8-chlortheophyllin
• 英文别名: 8-Chlor-7-<3-phthalimido-propyl>-theophyllin；8-chloro-1,3-dimethyl-7-(3-phthalimido-propyl)-3,7-dihydro-purine-2,6-dione；8-Chloro-7-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,3-dimethylpurine-2,6-dione
• CAS: 50454-49-4
• 化学式: C₁₈H₁₆ClN₅O₄
• 分子量: 401.809
• InChiKey: ZWVYVZDZPIFYRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  5

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.