2-[(1,3-二甲基-2,6-二氧代-7H-嘌呤-8-基)巯基]乙酸 | 82331-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 2-[(1,3-二甲基-2,6-二氧代-7H-嘌呤-8-基)巯基]乙酸
• 英文名称: 2-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
• 英文别名: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid
• CAS: 82331-12-2
• 化学式: C₉H₁₀N₄O₄S
• mdl: MFCD00549959
• 分子量: 270.27
• InChiKey: POFPCVGHSQJKRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

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.
• [EN] SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PARG À PETITES MOLÉCULES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV TEXAS

  公开号：WO2020205646A2

  公开（公告）日：2020-10-08

  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.