(3S,5R)-3-tert-Butoxycarbonylamino-5-{cyclopropyl-[4-(3-methoxy-propyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl]-carbamoyl}-piperidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester | 920297-71-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (3S,5R)-3-tert-Butoxycarbonylamino-5-{cyclopropyl-[4-(3-methoxy-propyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl]-carbamoyl}-piperidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester
• 英文别名: 9H-fluoren-9-ylmethyl (3R,5S)-3-[cyclopropyl-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
• CAS: 920297-71-8
• 化学式: C₄₃H₅₂N₄O₈
• 分子量: 752.908
• InChiKey: QCAKKQFKCGVXIQ-IZLXSDGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  55
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (3S,5R)-3-tert-Butoxycarbonylamino-5-{cyclopropyl-[4-(3-methoxy-propyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl]-carbamoyl}-piperidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 (3S,5R)-3-Amino-5-{cyclopropyl-[4-(3-methoxy-propyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl]-carbamoyl}-piperidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester hydrochloride salt
  参考文献：
  名称：

  ORGANIC COMPOUNDS

  摘要：

  该发明涉及3,5-取代哌啶化合物，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（=紊乱）；该类化合物用于制备用于治疗依赖肾素活性疾病的药物配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的药物配方，和/或包括给予3,5-取代哌啶化合物的治疗方法，一种用于制造3,5-取代哌啶化合物的方法，以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I的结构，其中R1、R2、T、R3和R4如规范中定义。

  公开号：

  US20090233920A1

文献信息

• Organic compounds
  申请人：Novartis AG

  公开号：US08163773B2

  公开（公告）日：2012-04-24

  The invention relates to 3,5-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 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The preferred compounds (which can also be present as salts) have the formula I wherein R1, R2, T, R3 and R4 are as defined in the specification.

  本发明涉及3,5-取代哌啶化合物，这些化合物用于诊断和治疗温血动物，尤其是用于治疗依赖于肾素活性的疾病（=紊乱）；该类化合物用于制备用于治疗依赖于肾素活性的疾病的制药配方；该类化合物用于治疗依赖于肾素活性的疾病；包括3,5-取代哌啶化合物的制药配方，以及包括给予3,5-取代哌啶化合物的治疗方法，制备3,5-取代哌啶化合物的方法以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I，其中R1，R2，T，R3和R4如规范中所定义。
• US8163773B2
  申请人：——

  公开号：US8163773B2

  公开（公告）日：2012-04-24
• ORGANIC COMPOUNDS
  申请人：Breitenstein Werner

  公开号：US20090233920A1

  公开（公告）日：2009-09-17

  The invention relates to 3,5-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 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The preferred compounds (which can also be present as salts) have the formula I wherein R1, R2, T, R3 and R4 are as defined in the specification.

  该发明涉及3,5-取代哌啶化合物，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（=紊乱）；该类化合物用于制备用于治疗依赖肾素活性疾病的药物配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的药物配方，和/或包括给予3,5-取代哌啶化合物的治疗方法，一种用于制造3,5-取代哌啶化合物的方法，以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I的结构，其中R1、R2、T、R3和R4如规范中定义。