[1-(5(S)-tert-butoxycarbonylamino-6-hydroxy-3,3-dimethyl-hexanoyl)-1,2,3,4-tetrahydro-quinolin-3(R,S)-yl]-carbamic acid methyl ester | 861444-72-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [1-(5(S)-tert-butoxycarbonylamino-6-hydroxy-3,3-dimethyl-hexanoyl)-1,2,3,4-tetrahydro-quinolin-3(R,S)-yl]-carbamic acid methyl ester
• 英文别名: [1-(5(S)tert-butoxycarbonylamino-6-hydroxy-3,3-dimethyl-hexanoyl)-1,2,3,4-tetrahydro-quinolin-3(R,S)-yl]-carbamic acid methyl ester；methyl N-[1-[(5S)-6-hydroxy-3,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-3,4-dihydro-2H-quinolin-3-yl]carbamate
• CAS: 861444-72-6
• 化学式: C₂₄H₃₇N₃O₆
• 分子量: 463.574
• InChiKey: GVRUFYBUHDUGKX-ZVAWYAOSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [1-(5(S)-tert-butoxycarbonylamino-6-hydroxy-3,3-dimethyl-hexanoyl)-1,2,3,4-tetrahydro-quinolin-3(R,S)-yl]-carbamic acid methyl ester 在 三乙胺 、 三氧化硫吡啶 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 1.58h， 生成 [1-(5(S)-tert-butoxycarbonylamino-3,3-dimethyl-6-oxo-hexanoyl)-1,2,3,4-tetrahydro-quinolin-3(R,S)-yl]-carbamic acid methyl ester
  参考文献：
  名称：

  [EN] AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2005070870A3
• 作为产物：
  描述：

  4(S)-[4-(3(R,S)-methoxycarbonylamino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-4-oxo-butyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester 在 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 [1-(5(S)-tert-butoxycarbonylamino-6-hydroxy-3,3-dimethyl-hexanoyl)-1,2,3,4-tetrahydro-quinolin-3(R,S)-yl]-carbamic acid methyl ester
  参考文献：
  名称：

  [EN] AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2005070870A3

文献信息

• Amino Alcohol Derivatives And Their Use As Renin Inhibitor
  申请人：Herold Peter

  公开号：US20090118281A1

  公开（公告）日：2009-05-07

  The application relates to novel amino alcohols of the general formula (I) where R, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 each have the definitions illustrated in detail in the description, to a process for their preparation and to the use of these compounds as medicines, in particular as renin inhibitors.

  该申请涉及一种新型氨基醇，其一般式为（I），其中R、R1、R2、R3、R4、R5和R6各自具有详细说明中所示的定义，以及其制备的方法和将这些化合物作为药物的用途，特别是作为肾素抑制剂。
• Amino alcohol derivatives and their use as renin inhibitor
  申请人：Novartis AG

  公开号：US07767690B2

  公开（公告）日：2010-08-03

  The application relates to novel amino alcohols of the general formula (I) where R, R1, R2, R3, R4, R5 and R6 each have the definitions illustrated in detail in the description, to a process for their preparation and to the use of these compounds as medicines, in particular as renin inhibitors.

  该申请涉及一种新型氨基醇，其通式为（I），其中R、R1、R2、R3、R4、R5和R6各自具有详细说明中所示的定义，以及其制备方法和将这些化合物用作药物的用途，特别是作为肾素抑制剂。
• [EN] AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS<br/>[FR] COMPOSES ORGANIQUES
  申请人：SPEEDEL EXPERIMENTA AG

  公开号：WO2005070870A3

  公开（公告）日：2005-09-22