1,3-Bis(1,1-dimethylethyl) 2-(6-bromo-1,2-benzisoxazol-3-yl)imidodicarbonate | 897956-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 1,3-Bis(1,1-dimethylethyl) 2-(6-bromo-1,2-benzisoxazol-3-yl)imidodicarbonate
• 英文别名: tert-butyl N-(6-bromo-1,2-benzoxazol-3-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• CAS: 897956-06-8
• 化学式: C₁₇H₂₁BrN₂O₅
• 分子量: 413.268
• InChiKey: UYGZPVOQBZNYSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  81.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氟-4-溴苯腈 在 盐酸 、 potassium tert-butylate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.5h， 生成 1,3-Bis(1,1-dimethylethyl) 2-(6-bromo-1,2-benzisoxazol-3-yl)imidodicarbonate
  参考文献：
  名称：

  TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF

  摘要：

  化合物(I)及其光学异构体和药学上可接受的盐，以及该化合物作为FXIa抑制剂的应用。

  公开号：

  EP3998263A1

文献信息

• Raf inhibitor compounds and methods of use thereof
  申请人：Miknis Greg

  公开号：US20070049603A1

  公开（公告）日：2007-03-01

  Compounds of Formula I are useful for inhibiting Raf kinase and for treating disorders mediated thereby. Methods of using compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式I的化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用公式I的化合物及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• 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