7-methyl-8-[2-N,N-dimetyl-ethyl]-1,3-dimethyl-(1H,8H)-imidazo[2,1-f]purine-2,4-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: 7-methyl-8-[2-N,N-dimetyl-ethyl]-1,3-dimethyl-(1H,8H)-imidazo[2,1-f]purine-2,4-dione
• 英文别名: 8-(2-(dimethylamino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione；6-[2-(dimethylamino)ethyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
• 化学式: C₁₄H₂₀N₆O₂
• 分子量: 304.352
• InChiKey: CARIILNFEXMVBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-溴茶碱 在 potassium carbonate 作用下， 以 乙二醇甲醚 、 丙酮 为溶剂， 反应 24.0h， 生成 7-methyl-8-[2-N,N-dimetyl-ethyl]-1,3-dimethyl-(1H,8H)-imidazo[2,1-f]purine-2,4-dione
  参考文献：
  名称：

  Zagórska, Agnieszka; Czopek, Anna; Chłoń-Rzepa, Grażyna, Acta poloniae pharmaceutica, 2017, vol. 74, # 6, p. 1729 - 1738

  摘要：

  DOI：

文献信息

• SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS
  申请人：DISCOVERYBIOMED, INC.

  公开号：US20150307503A1

  公开（公告）日：2015-10-29

  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.

  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。
• 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.
• Zagórska, Agnieszka; Czopek, Anna; Chłoń-Rzepa, Grażyna, Acta poloniae pharmaceutica, 2017, vol. 74, # 6, p. 1729 - 1738
  作者：Zagórska, Agnieszka、Czopek, Anna、Chłoń-Rzepa, Grażyna、Pawłowski, Maciej、Siwek, Agata、Bednarski, Marek、Zygmunt, Małgorzata、Sapa, Jacek

  DOI：——

  日期：——