(3R,5S)-3-[(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-ethyl-carbamoyl]-5-{[9-(4-methoxy-butyl)-9H-xanthen-9-ylmethyl]-carbamoyl}-piperidine-1-carboxylic acid tert-butyl ester | 914260-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: (3R,5S)-3-[(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-ethyl-carbamoyl]-5-{[9-(4-methoxy-butyl)-9H-xanthen-9-ylmethyl]-carbamoyl}-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl (3R,5S)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)carbamoyl]-5-[[9-(4-methoxybutyl)xanthen-9-yl]methylcarbamoyl]piperidine-1-carboxylate
• CAS: 914260-94-9
• 化学式: C₄₂H₅₃N₃O₈
• 分子量: 727.898
• InChiKey: HPXHYXNYVBYBRS-IOWSJCHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  53
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors
  申请人：Baeschlin Daniel Kaspar

  公开号：US20080194629A1

  公开（公告）日：2008-08-14

  The invention relates to 3,5-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-piperidine compound, and/or a method of treatment comprising administering a 3,5-piperidine compound, a method for the manufacture of a 3,5-piperidine compound, and novel intermediates and partial steps for their synthesis. Especially, the 3,5-piperidine compounds have the formula I, wherein the symbols have the meanings described in the specification.

  本发明涉及3,5-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制药配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-哌啶化合物的制药配方和/或包括给予3,5-哌啶化合物的治疗方法，一种制备3,5-哌啶化合物的方法，以及其合成的新中间体和部分步骤。特别地，3,5-哌啶化合物具有式I，其中符号具有规范中描述的含义。