3-(3-{2-[(E)-3,5-diamino-6-chloropyrazine-2-carbonylimino]-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzenesulfonylamino)propionic acid 2-oxo-2-(2-trifluoromethylpyrrolidin-1-yl)ethyl ester | 1366295-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(3-{2-[(E)-3,5-diamino-6-chloropyrazine-2-carbonylimino]-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzenesulfonylamino)propionic acid 2-oxo-2-(2-trifluoromethylpyrrolidin-1-yl)ethyl ester
• 英文别名: 3-(3-{2-[(E)-3,5-Diamino-6-chloro-pyrazine-2-carbonylimino]-1,3,8-triaza-spiro[4.5]decane-8-carbonyl}-benzenesulfonylamino)-propionic acid 2-oxo-2-(2-trifluoromethyl-pyrrolidin-1-yl)-ethyl ester；[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl] 3-[[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylamino]propanoate
• CAS: 1366295-76-2
• 化学式: C₂₉H₃₄ClF₃N₁₀O₇S
• 分子量: 759.166
• InChiKey: NZVXDMISHQDKDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  51
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  253
• 氢给体数：
  5
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  3-(3-{2-[(E)-3,5-diamino-6-chloropyrazine-2-carbonylimino]-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzenesulfonylamino)propionic acid tert-butyl ester 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 160.25h， 生成 3-(3-{2-[(E)-3,5-diamino-6-chloropyrazine-2-carbonylimino]-1,3,8-triazaspiro[4.5]decane-8-carbonyl}benzenesulfonylamino)propionic acid 2-oxo-2-(2-trifluoromethylpyrrolidin-1-yl)ethyl ester
  参考文献：
  名称：

  PYRAZINE DERIVATIVES AS ENAC BLOCKERS

  摘要：

  公式I的化合物：及其药用可接受的盐和溶剂化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10的含义如规范中所示，可用于治疗通过阻断上皮钠通道介导的疾病。还描述了含有这些化合物的药物组合物和制备这些化合物的过程。

  公开号：

  US20120071479A1

文献信息

• Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US10980746B2

  公开（公告）日：2021-04-20

  The present invention features compositions comprising a plurality of therapeutic agents wherein the presence of one therapeutic agent enhances the properties of at least one other therapeutic agent. In one embodiment, the therapeutic agents are cystic fibrosis transmembrane conductance regulators (CFTR) such as a CFTR corrector or CFTR potentiator for the treatment of CFTR mediated diseases such as cystic fibrosis. Methods and kits thereof are also disclosed.

  本发明涉及包含多种治疗剂的组合物，其中一种治疗剂的存在增强了至少一种其他治疗剂的性能。在一个实施例中，治疗剂是囊性纤维化跨膜传导调节蛋白（CFTR），例如CFTR校正剂或CFTR增强剂，用于治疗CFTR介导的疾病，如囊性纤维化。还公开了相关的方法和试剂盒。
• Pyrazine derivatives as enac blockers
  申请人：Bhalay Gurdip

  公开号：US08372845B2

  公开（公告）日：2013-02-12

  Compounds of Formula I: and pharmaceutically acceptable salts and solvates thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 have the meanings as indicated in the specification, are useful for treating diseases mediated by blockade of the epithelial sodium channel. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式I的化合物及其药学上可接受的盐和溶剂化物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10的含义如规范中所示，可用于治疗由于上皮钠通道阻滞引起的疾病。还描述了包含这些化合物的药物组合物和制备这些化合物的过程。
• Pyrazine derivatives as ENaC blockers
  申请人：NOVARTIS AG

  公开号：US09050339B2

  公开（公告）日：2015-06-09

  Compounds of Formula I: and pharmaceutically acceptable salts and solvates thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 have the meanings as indicated in the specification, are useful for treating diseases mediated by blockade of the epithelial sodium channel. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式I的化合物及其药学上可接受的盐和溶剂化物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10的含义如规范中所示，可用于治疗由上皮钠通道阻滞介导的疾病。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过程。
• PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150320736A1

  公开（公告）日：2015-11-12

  The present invention features compositions comprising a plurality of therapeutic agents wherein the presence of one therapeutic agent enhances the properties of at least one other therapeutic agent. In one embodiment, the therapeutic agents are cystic fibrosis transmembrane conductance regulators (CFTR) such as a CFTR corrector or CFTR potentiator for the treatment of CFTR mediated diseases such as cystic fibrosis. Methods and kits thereof are also disclosed.

  本发明涉及一种包含多种治疗剂的组合物，其中一种治疗剂的存在增强了至少另一种治疗剂的性能。在一种实施例中，治疗剂是囊性纤维化跨膜传导调节剂（CFTR），例如CFTR纠正剂或CFTR增强剂，用于治疗CFTR介导的疾病，例如囊性纤维化。本发明还公开了相应的方法和试剂盒。
• US8372845B2
  申请人：——

  公开号：US8372845B2

  公开（公告）日：2013-02-12