N-((5S)-5-amino-6-carbamoyl-6-hydroxyhexyl)-(tert-butoxy)carboxamide | 1146538-53-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-((5S)-5-amino-6-carbamoyl-6-hydroxyhexyl)-(tert-butoxy)carboxamide
• 英文别名: tert-butyl N-[(5S)-5,7-diamino-6-hydroxy-7-oxoheptyl]carbamate
• CAS: 1146538-53-5
• 化学式: C₁₂H₂₅N₃O₄
• 分子量: 275.348
• InChiKey: MAVUETWCGMOTQE-IENPIDJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-((5S)-5-amino-6-carbamoyl-6-hydroxyhexyl)-(tert-butoxy)carboxamide 在 戴斯-马丁氧化剂 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 tert-butyl ((10S,13S,16S,19S)-19-(2-amino-2-oxoacetyl)-2,2,13,16-tetramethyl-4,11,14,17-tetraoxo-10-palmitamido-3-oxa-5,12,15,18-tetraazatricosan-23-yl)carbamate
  参考文献：
  名称：

  [EN] PROTEASE INHIBITORS
  [FR] INHIBITEURS DE PROTÉASE

  摘要：

  The present invention relates to a new class of compounds based on alkylated oligopeptides featuring distinct head and tail modifications at their termini. The compounds are useful as inhibitors of viral proteases, particularly of flaviviral proteases, and can therefore be used for treatment of viral infections.

  公开号：

  WO2023052636A1
• 作为产物：
  描述：

  N-((1S)-1-(4-[(tert-butoxy)carbonylamino]butyl)-2-carbamoyl-2-hydroxyethyl)(phenylmethoxy)-carboxamide 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成 N-((5S)-5-amino-6-carbamoyl-6-hydroxyhexyl)-(tert-butoxy)carboxamide
  参考文献：
  名称：

  [EN] PROTEASE INHIBITORS
  [FR] INHIBITEURS DE PROTÉASE

  摘要：

  The present invention relates to a new class of compounds based on alkylated oligopeptides featuring distinct head and tail modifications at their termini. The compounds are useful as inhibitors of viral proteases, particularly of flaviviral proteases, and can therefore be used for treatment of viral infections.

  公开号：

  WO2023052636A1

文献信息

• Practical synthesis of a peptidomimetic thrombin inhibitor
  作者：Serge Wilmouth、Christel Bufferne-Perret、Christine Flouzat、Grégoire Humblot、Christiane Ray、Nadine Simbille

  DOI：10.1016/j.tet.2009.01.078

  日期：2009.3

  Compound 1 is a low molecular weight thrombin inhibitor developed for treatment of deep vein thrombosis and cardiovascular diseases. We herein report our efforts to develop a robust, efficient and reproducible process suitable for large-scale synthesis of compound 1.

  化合物1是开发用于治疗深静脉血栓形成和心血管疾病的低分子量凝血酶抑制剂。我们在此报告了我们为开发适用于大规模合成化合物1的稳健，有效和可重现方法的努力。
• [EN] PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉASE
  申请人：[en]PROTINHI B.V.

  公开号：WO2023052636A1

  公开（公告）日：2023-04-06

  The present invention relates to a new class of compounds based on alkylated oligopeptides featuring distinct head and tail modifications at their termini. The compounds are useful as inhibitors of viral proteases, particularly of flaviviral proteases, and can therefore be used for treatment of viral infections.