benzyl N-(1-amino-5,5-difluoro-2-hydroxy-1-oxohexan-3-yl)carbamate | 569678-75-7

• 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: benzyl N-(1-amino-5,5-difluoro-2-hydroxy-1-oxohexan-3-yl)carbamate
• CAS: 569678-75-7
• 化学式: C₁₄H₁₈F₂N₂O₄
• 分子量: 316.305
• InChiKey: PVKOHFOLGUCIAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl N-(1-amino-5,5-difluoro-2-hydroxy-1-oxohexan-3-yl)carbamate 在 10% Pd/C 、 氢气 作用下， 以 乙醇 为溶剂， 生成 3-Amino-5,5-difluoro-2-hydroxyhexanamide
  参考文献：
  名称：

  Hepatitis C virus NS3-4A serine protease inhibitors: SAR of new P1 derivatives of SCH 503034

  摘要：

  Substitutions on the P-1 cyclobutyl side chain of SCH 503034 were studied by introduction of hydroxyl and fluoro substituents. Additionally, effects of. uoro substitution on other P1 moieties were evaluated. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.060
• 作为产物：
  描述：

  5,5-Difluoro-2-hydroxy-3-(phenylmethoxycarbonylamino)hexanoic acid 在 氯化铵 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 benzyl N-(1-amino-5,5-difluoro-2-hydroxy-1-oxohexan-3-yl)carbamate
  参考文献：
  名称：

  Hepatitis C virus NS3-4A serine protease inhibitors: SAR of new P1 derivatives of SCH 503034

  摘要：

  Substitutions on the P-1 cyclobutyl side chain of SCH 503034 were studied by introduction of hydroxyl and fluoro substituents. Additionally, effects of. uoro substitution on other P1 moieties were evaluated. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.060

文献信息

• Novel peptides as NS3-serine protease inhibitors of hepatitis C virus
  申请人：Saksena K. Anil

  公开号：US20070032433A1

  公开（公告）日：2007-02-08

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明揭示了包含这些化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• US7244721B2
  申请人：——

  公开号：US7244721B2

  公开（公告）日：2007-07-17
• US7592316B2
  申请人：——

  公开号：US7592316B2

  公开（公告）日：2009-09-22
• Hepatitis C virus NS3-4A serine protease inhibitors: SAR of new P1 derivatives of SCH 503034
  作者：S. Bogen、A. Arasappan、W. Pan、S. Ruan、A. Padilla、A.K. Saksena、V. Girijavallabhan、F.G. Njoroge

  DOI：10.1016/j.bmcl.2008.05.060

  日期：2008.7

  Substitutions on the P-1 cyclobutyl side chain of SCH 503034 were studied by introduction of hydroxyl and fluoro substituents. Additionally, effects of. uoro substitution on other P1 moieties were evaluated. (C) 2008 Elsevier Ltd. All rights reserved.