N-cyclopropyl-N-(2,2-difluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-2,2,2-trifluoroacetamide | 897953-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: N-cyclopropyl-N-(2,2-difluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-2,2,2-trifluoroacetamide
• CAS: 897953-44-5
• 化学式: C₁₃H₉F₅N₂O₃
• 分子量: 336.218
• InChiKey: AFWAPBDTSLWIRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-cyclopropyl-N-(2,2-difluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-2,2,2-trifluoroacetamide 在 甲醇 、 potassium carbonate 、 水 作用下， 以 甲醇 为溶剂， 反应 1.5h， 生成 6-(cyclopropylamino)-2,2-difluoro-4H-1,4-benzoxazin-3-one
  参考文献：
  名称：

  Substituted Piperdines as Renin Inhibitors

  摘要：

  该发明涉及替代的3,4-或更高替代的哌啶基化合物，其用于制备用于治疗依赖肾素活性的疾病的药物配方；该类化合物在治疗依赖肾素活性的疾病中的应用；这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病的治疗；包括上述化合物的药物配方或产品，以及/或包括上述化合物的给药方法，制备上述化合物的方法，以及用于其合成的新中间体、起始材料和/或部分步骤。这些化合物优选具有公式 I，其中基团 R1、R2、R11 和 W 如规范中所定义。

  公开号：

  US20090137566A1
• 作为产物：
  描述：

  N-cyclopropyl-4-(methoxymethoxy)-3-nitroaniline 在 吡啶 、 盐酸 、 potassium carbonate 、 氯化铵 、 锌 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.25h， 生成 N-cyclopropyl-N-(2,2-difluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  WO2006/125621

  摘要：

  公开号：

文献信息

• Organic compounds
  申请人：Novartis AG

  公开号：EP2177518A1

  公开（公告）日：2010-04-21

  3,4-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (= disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,4-substituted piperidine compound, and/or a method of treatment comprising administering a 3,4-substituted piperidine compound, a method for the manufacture of a 3,4-substituted piperidine compound, and novel intermediates and partial steps for their synthesis are disclosed. The 3,4-disubstituted piperidine compounds have the formula I, wherein the symbols have the meanings defined in the specification.

  3,4-取代的哌啶化合物，这些化合物用于温血动物的诊断和治疗，特别是用于治疗依赖于肾素活性的疾病（=失调）；该类化合物用于制备治疗依赖于肾素活性的疾病的药物制剂；公开了该类化合物在治疗依赖肾素活性的疾病中的用途；包含3,4-取代的哌啶化合物的药物制剂，和/或包括施用3,4-取代的哌啶化合物的治疗方法，3,4-取代的哌啶化合物的制造方法，以及新型中间体及其合成的部分步骤。3,4-二取代哌啶化合物具有式 I、 其中符号具有本说明书中定义的含义。
• ORGANIC COMPOUNDS
  申请人：Breitenstein Werner

  公开号：US20090312304A1

  公开（公告）日：2009-12-17

  3,4-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,4-substituted piperidine compound, and/or a method of treatment comprising administering a 3,4-substituted piperidine compound, a method for the manufacture of a 3,4-substituted piperidine compound, and novel intermediates and partial steps for their synthesis are disclosed. The 3,4-disubstituted piperidine compounds have the formula I,
• Organic Compounds
  申请人：BREITENSTEIN Werner

  公开号：US20110263560A1

  公开（公告）日：2011-10-27

  3,4-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,4-substituted piperidine compound, and/or a method of treatment comprising administering a 3,4substituted piperidine compound, a method for the manufacture of a 3,4-substituted piperidine compound, and novel intermediates and partial steps for their synthesis are disclosed. The 3,4-disubstituted piperidine compounds have the formula (I), wherein the symbols have the meanings defined in the specification.
• US8084450B2
  申请人：——

  公开号：US8084450B2

  公开（公告）日：2011-12-27
• US8178559B2
  申请人：——

  公开号：US8178559B2

  公开（公告）日：2012-05-15