1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-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-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione
• 英文别名: 1,3-dimethyl-8-(2-morpholin-4-ylethylamino)-7H-purine-2,6-dione
• 化学式: C₁₃H₂₀N₆O₃
• 分子量: 308.34
• InChiKey: BAASUQZVWLHLKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  93.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(2-氨基乙基)吗啉 、 8-氯茶碱 在 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 3.0h， 生成 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione
  参考文献：
  名称：

  SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS

  摘要：

  提供了一种在细胞中有效拯救卤化物流出、修复delF508-CFTR蛋白加工和顶端功能氯离子传输的新型CFTR校正化合物。还提供了治疗蛋白质折叠障碍（例如囊性纤维化）的方法。该方法包括给予CFTR校正化合物或其药用可接受的盐或前药。还提供了在细胞中拯救卤化物流出、纠正细胞中delF508-CFTR蛋白的加工缺陷以及纠正细胞中功能性delF508-CFTR氯通道的方法。

  公开号：

  US20150307503A1

文献信息

• [EN] POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) INHIBITORS AGAINST COVID MACRODOMAIN AND METHODS OF USING THE SAME<br/>[FR] INHIBITEURS DE LA POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) DIRIGÉS CONTRE LE MACRODOMAINE DU CORONAVIRUS ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：UNIV TEXAS

  公开号：WO2022159818A1

  公开（公告）日：2022-07-28

  The present disclosure provides compounds of Formula (Ia) and Formula (Ib) and the pharmaceutically acceptable salts and solvates thereof, wherein A1, A2, R1, R2, R3, and R4are defined as set forth in the specification. The present disclosure also provides the use of compounds of Formula (Ia) or Formula (Ib) to treat a coronavirus infection in a subject.

  本公开提供公式（Ia）和公式（Ib）的化合物及其药学上可接受的盐和溶剂化物，其中A1、A2、R1、R2、R3和R4的定义如规范中所述。本公开还提供使用公式（Ia）或公式（Ib）的化合物治疗受冠状病毒感染的主体的方法。
• 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.
• US9546176B2
  申请人：——

  公开号：US9546176B2

  公开（公告）日：2017-01-17
• [EN] Small Molecule Bicyclic and Tricyclic CFTR Correctors<br/>[FR] CORRECTEURS DE CFTR BICYCLIQUES ET TRICYCLIQUES À PETITES MOLÉCULES
  申请人：DISCOVERYBIOMED INC

  公开号：WO2014081821A2

  公开（公告）日：2014-05-30

  Novel CFTR corrector compounds that are effective in rescuing halide efflux, delF508-CFTR protein processing, and apical functional chloride ion transport in a cell are provided. Also provided are methods for treating protein folding disorders (e.g., cystic fibrosis). The methods include administering a CFTR corrector compound or pharmaceutically acceptable salt or prodrug thereof. Methods of rescuing halide efflux in a cell, correcting a processing defect of a delF508-CFTR protein in a cell, and correcting functional delF508-CFTR chloride channels in a cell are also provided.
• [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.