7-allyl-8-(4-bromophenoxy)-1,3-dimethyl-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: 7-allyl-8-(4-bromophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• 英文别名: 8-(4-bromophenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
• 化学式: C₁₆H₁₅BrN₄O₃
• 分子量: 391.22
• InChiKey: KXJYDSGMCYCDPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  4

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。
• TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS
  申请人：Schwiebert Erik M.

  公开号：US20140073632A1

  公开（公告）日：2014-03-13

  Novel CFTR corrector compounds that are effective in rescuing halide efflux 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 screening for CFTR corrector compounds are also described herein. The methods of screening include contacting a cell that endogenously expresses a CFTR mutation with the compound to be screened and detecting a rescue of halide efflux from the cell.
• US9221840B2
  申请人：——

  公开号：US9221840B2

  公开（公告）日：2015-12-29
• US9546176B2
  申请人：——

  公开号：US9546176B2

  公开（公告）日：2017-01-17
• [EN] TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS<br/>[FR] TRAITEMENT DES TROUBLES LIÉS AU REPLIEMENT DES PROTÉINES AVEC DES CORRECTEURS DE CFTR À PETITE MOLÉCULE
  申请人：DISCOVERYBIOMED INC

  公开号：WO2012158913A2

  公开（公告）日：2012-11-22

  Novel CFTR corrector compounds that are effective in rescuing halide efflux 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 screening for CFTR corrector compounds are also described herein. The methods of screening include contacting a cell that endogenously expresses a CFTR mutation with the compound to be screened and detecting a rescue of halide efflux from the cell.