4-cyano-4-(2,2,2-trifluoroacetylamino)piperidine-1-carboxylic acid tert-butyl ester | 871115-20-7

• 物质功能分类: 医药中间体 - 杂环化合物
• 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: 4-cyano-4-(2,2,2-trifluoroacetylamino)piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-Butyl 4-cyano-4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate；tert-butyl 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
• CAS: 871115-20-7
• 化学式: C₁₃H₁₈F₃N₃O₃
• 分子量: 321.299
• InChiKey: DNISAVDKJKYXOM-UHFFFAOYSA-N

物化性质

• 沸点：
  427.3±45.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-cyano-4-(2,2,2-trifluoroacetylamino)piperidine-1-carboxylic acid tert-butyl ester 在 镍 吡啶 、 盐酸 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 反应 58.0h， 生成 2,2,2-trifluoro-N-{1-methyl-4-[(2,2,2,trifluoro-acetylamino)-methyl]-piperidin-4-yl}-acetamide
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of a novel series of rifabutin-like spirorifamycins

  摘要：

  A novel series of spirorifamycins was synthesized and their antibacterial activity evaluated both in vitro and in vivo. This new series of rifamycins shows excellent activity against Staphylococcus aureus that is equivalent to rifabutin. However, some compounds of the series exhibit lower MICs than rifabutin against rifampin-resistant strains of S. aureus. Further, compound 2e exhibits comparable efficacy in vivo in a murine model of S. aureus septicemia model following administration by either oral or parenteral dosing routes.

  DOI：

  10.1016/j.bmcl.2006.12.026
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 吡啶 、 氨 、 氯化铵 作用下， 以 甲醇 为溶剂， 反应 21.0h， 生成 4-cyano-4-(2,2,2-trifluoroacetylamino)piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of a novel series of rifabutin-like spirorifamycins

  摘要：

  A novel series of spirorifamycins was synthesized and their antibacterial activity evaluated both in vitro and in vivo. This new series of rifamycins shows excellent activity against Staphylococcus aureus that is equivalent to rifabutin. However, some compounds of the series exhibit lower MICs than rifabutin against rifampin-resistant strains of S. aureus. Further, compound 2e exhibits comparable efficacy in vivo in a murine model of S. aureus septicemia model following administration by either oral or parenteral dosing routes.

  DOI：

  10.1016/j.bmcl.2006.12.026

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。
• Spiro-rifamycin derivatives targeting RNA polymerase
  申请人：Ma Zhenkun

  公开号：US20050277633A1

  公开（公告）日：2005-12-15

  Compounds of the current invention relate to rifamycin derivatives having antimicrobial activities, including activities against drug-resistant microorganisms. More specifically, compounds of the current invention relate to a series of novel spiro rifamycin derivatives which have demonstrated potent antimicrobial activity.

  当前发明的化合物涉及具有抗微生物活性的利福霉素衍生物，包括对耐药微生物的活性。更具体地说，当前发明的化合物涉及一系列表现出强效抗微生物活性的新型螺环利福霉素衍生物。
• Organic Compounds
  申请人：BHALAY Gurdip

  公开号：US20100130506A1

  公开（公告）日：2010-05-27

  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.

  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。
• 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。