(R)-Tert-butyl 1-amino-3,3-dimethylbutan-2-ylcarbamate | 958281-81-7

• 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: (R)-Tert-butyl 1-amino-3,3-dimethylbutan-2-ylcarbamate
• 英文别名: tert-butyl N-[(2R)-1-amino-3,3-dimethylbutan-2-yl]carbamate
• CAS: 958281-81-7
• 化学式: C₁₁H₂₄N₂O₂
• 分子量: 216.324
• InChiKey: PZCDWEOQKBSMMC-QMMMGPOBSA-N

物化性质

• 沸点：
  303.9±25.0 °C(Predicted)
• 密度：
  0.954±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 储存条件：
  存放在室温、干燥且密封的环境中。

反应信息

• 作为反应物：
  描述：

  (R)-Tert-butyl 1-amino-3,3-dimethylbutan-2-ylcarbamate 、 高邻苯二甲酸酐 在 乙酸酐 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 tert-butyl N-[(2R)-1-(1,3-dioxo-4H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]carbamate
  参考文献：
  名称：

  P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile

  摘要：

  SAR studies on the extension of P3 unit of Boceprevir (1, SCH 503034) with amides and lactams and their synthesis is described. Extensive SAR studies resulted in the identification of 36 bearing 4, 4-dimethyl lactam as the new P4 cap unit with improved potency (K-i* 15 nM, EC 90 = 70 nM) and pharmacokinetic properties (Rat AUC (PO) = 3.52 mu M h) compared to 1. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.094
• 作为产物：
  描述：

  在 1% Pd/C 、 氢气 作用下， 反应 3.0h， 生成 (R)-Tert-butyl 1-amino-3,3-dimethylbutan-2-ylcarbamate
  参考文献：
  名称：

  P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile

  摘要：

  SAR studies on the extension of P3 unit of Boceprevir (1, SCH 503034) with amides and lactams and their synthesis is described. Extensive SAR studies resulted in the identification of 36 bearing 4, 4-dimethyl lactam as the new P4 cap unit with improved potency (K-i* 15 nM, EC 90 = 70 nM) and pharmacokinetic properties (Rat AUC (PO) = 3.52 mu M h) compared to 1. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.094

文献信息

• HCV/HIV inhibitors and their uses
  申请人：Novartis AG

  公开号：EP2518079A2

  公开（公告）日：2012-10-31

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of HCV and associated disorders.

  本申请介绍了可用于治疗、预防和/或改善丙型肝炎病毒及相关疾病的有机化合物。
• Novel compounds as inhibitors of hepatitis C virus NS3 serine protease
  申请人：Venkatraman Srikanth

  公开号：US20070032434A1

  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.
• Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus
  申请人：Chen X. Kevin

  公开号：US20070093430A1

  公开（公告）日：2007-04-26

  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.
• Organic Compounds and Their Uses
  申请人：Brandl Trixi

  公开号：US20070286842A1

  公开（公告）日：2007-12-13

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.
• ORGANIC COMPOUNDS AND THEIR USES
  申请人：Brandl Trixi

  公开号：US20100331243A1

  公开（公告）日：2010-12-30

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.