(E)-1-(furan-2-ylmethyl)-5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (E)-1-(furan-2-ylmethyl)-5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
• 英文别名: (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
• 化学式: C₂₃H₂₁N₃O₅
• 分子量: 419.4
• InChiKey: WRQBEFIJZLEUBS-UDWIEESQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  93.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof
  申请人：Verkman Alan

  公开号：US20070265316A1

  公开（公告）日：2007-11-15

  The invention provides compositions, pharmaceutical preparations and methods for activation of the ΔF508 cystic fibrosis transmembrane conductance regulator protein (ΔF508 CFTR) that are useful for the treatment and study of cystic fibrosis (CF). The compositions and pharmaceutical preparations of the invention may comprise one or more tetrahydrobenzothiophene, benzofuran, pyramidinetrione, dihydropyridine, tetraahydrocarbazol or anthraquinone compounds (referred to as “activator compounds”). The invention provides methods increasing ion transport in a ΔF508 CFTR in a cell by contacting the cell with an effective amount of an activator compound. In other embodiments, the invention also provides a method of treating a patient suffering from a ΔF508 CFTR-mediated disease or condition, for example CF, by administering to the patient an efficacious amount of an activator compound. Kits for use in the subject methods are also provided.
• US7696244B2
  申请人：——

  公开号：US7696244B2

  公开（公告）日：2010-04-13
• [EN] COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF<br/>[FR] COMPOSES ACCROISSANT LE TRANSPORT D'IONS PAR DES CFTR DE MUTANTS, ET LEURS UTILISATIONS
  申请人：UNIV CALIFORNIA

  公开号：WO2004110352A2

  公开（公告）日：2004-12-23

  The invention provides compositions, including pharmaceutical preparations, which comprise one or more substituted thiophene, benzofuran, pyrimidinetrione, dihydropyridine, tetrahydrocarbazol or anthraquinone compounds. The invention also features methods of use of such compositions in increasing activity of mutant-cystic fibrosis transmembrane conductance regulator protein in a cell, e.g., by increasing ion transport in a mutant-CFTR.