(E)-3,5-diamino-6-chloro-N-(4-(3-(4-((S)-2,3-dihydroxypropoxy)phenyl)propyl)-5-propylimidazolidin-2-ylidene)pyrazine-2-carboxamide hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (E)-3,5-diamino-6-chloro-N-(4-(3-(4-((S)-2,3-dihydroxypropoxy)phenyl)propyl)-5-propylimidazolidin-2-ylidene)pyrazine-2-carboxamide hydrochloride
• 英文别名: 3,5-diamino-6-chloro-N-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-5-propyl-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;hydrochloride
• 化学式: C₂₃H₃₂ClN₇O₄*ClH
• 分子量: 542.466
• InChiKey: VXOHHQHWGUOQIB-UQHHGKDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  181
• 氢给体数：
  7
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (E)-3,5-diamino-6-chloro-N-(4-(3-(4-((S)-2,3-dihydroxypropoxy)phenyl)propyl)-5-propylimidazolidin-2-ylidene)pyrazine-2-carboxamide 在 盐酸 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 2.0h， 生成 (E)-3,5-diamino-6-chloro-N-(4-(3-(4-((S)-2,3-dihydroxypropoxy)phenyl)propyl)-5-propylimidazolidin-2-ylidene)pyrazine-2-carboxamide hydrochloride
  参考文献：
  名称：

  Organic Compounds

  摘要：

  一种以自由形式、盐或溶剂形式存在的I式化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10和R11的含义如规范中所示，可用于治疗对上皮钠通道阻滞有反应的疾病。还描述了含有这些化合物的药物组合物以及制备这些化合物的方法。

  公开号：

  US20100130506A1

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• [EN] COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES<br/>[FR] COMPOSITIONS DESTINÉES AU TRAITEMENT DE LA MUCOVISCIDOSE ET D'AUTRES MALADIES CHRONIQUES
  申请人：VERTEX PHARMA

  公开号：WO2011050325A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one compound of Formula I, Formula II, or Formula III. The invention also relates to solid forms and to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及一种药物组合物，包括一种上皮钠通道活性抑制剂与至少一种公式I、公式II或公式III的化合物结合。本发明还涉及其固体形式和制药配方，以及使用这种组合物治疗CFTR介导疾病，尤其是囊性纤维化的方法。
• Compositions for treatment of cystic fibrosis and other chronic diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2813227A1

  公开（公告）日：2014-12-17

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one compound of Formula I, Formula II, or Formula III. The invention also relates to solid forms and to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及制药组合物，包括一种上皮钠通道活性抑制剂和至少一种公式I、公式II或公式III化合物。本发明还涉及所述组合物的固体形式和制药配方，以及使用这种组合物治疗CFTR介导的疾病，尤其是囊性纤维化的方法。
• Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives
  申请人：Bhalay Gurpid

  公开号：US20110237572A1

  公开（公告）日：2011-09-29

  A compound of Formula I in free or salt or solvate form, where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 have the meanings as indicated in the specification, is useful for treating diseases which respond to the blockade of the epithelial sodium channel. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式I的化合物以自由形式、盐形式或溶剂形式存在，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10和R11的含义如说明书所示，可用于治疗对上皮钠通道阻滞有反应的疾病。还描述了包含该化合物的制药组合物和制备该化合物的过程。