H-(D)-Val-OAllyl | 1202021-22-4

• 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: H-(D)-Val-OAllyl
• 英文别名: prop-2-enyl (2R)-2-amino-3-methylbutanoate
• CAS: 1202021-22-4
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: RJIJIIUDMFWJSW-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methylbenzhydrylamine resin 、 H-(D)-Val-OAllyl 、 4-(((6R,7S,10R)-10-((R)-sec-butyl)-6-isobutyl-2,2-dimethyl-4,11-dioxo-3,12-dioxa-5,9-diazapentadec-14-en-7-yl)oxy)-4-oxobutanoic acid 、 Fmoc-甘氨酸 、 D-脯氨酰胺 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二异丙基碳二亚胺 、 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.83h， 生成
  参考文献：
  名称：

  Evaluation of retro-inverso modifications of HTLV-1 protease inhibitors containing a hydroxyethylamine isoster

  摘要：

  Effects of retro-inverso (RI) modifications of HTLV-1 protease inhibitors containing a hydroxyethylamine isoster backbone were clarified. Construction of the isoster backbone was achieved by a stereoselective aldol reaction. Four diastereomers with different configurations at the isoster hydroxyl site and the scissile site substituent were synthesized. Inhibitory activities of the new inhibitors suggest that partially modified RI inhibitors would interact with HTLV-1 protease in the same manner as the parent hydroxyethylamine inhibitor. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.02.019

文献信息

• Evaluation of retro-inverso modifications of HTLV-1 protease inhibitors containing a hydroxyethylamine isoster
  作者：Tadashi Tatsumi、Chiyuki Awahara、Hiromi Naka、Saburo Aimoto、Hiroyuki Konno、Kazuto Nosaka、Kenichi Akaji

  DOI：10.1016/j.bmc.2010.02.019

  日期：2010.4

  Effects of retro-inverso (RI) modifications of HTLV-1 protease inhibitors containing a hydroxyethylamine isoster backbone were clarified. Construction of the isoster backbone was achieved by a stereoselective aldol reaction. Four diastereomers with different configurations at the isoster hydroxyl site and the scissile site substituent were synthesized. Inhibitory activities of the new inhibitors suggest that partially modified RI inhibitors would interact with HTLV-1 protease in the same manner as the parent hydroxyethylamine inhibitor. (C) 2010 Elsevier Ltd. All rights reserved.