benzyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate | 792884-63-0

• 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 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
• CAS: 792884-63-0
• 化学式: C₁₄H₁₈N₂O₃
• 分子量: 262.309
• InChiKey: LISRQAXMDVGWHT-LBPRGKRZSA-N

物化性质

• 沸点：
  450.5±45.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 (S)-(2-oxo-3-phenylmethanesulfonyl-piperidiny-1-yl)acetic acid
  参考文献：
  名称：

  Design, synthesis, and structure–Activity relationships of unsubstituted piperazinone-Based transition state factor Xa inhibitors

  摘要：

  A series of novel transition state factor Xa inhibitors containing a variety, of lactam ring systems as central templates was synthesized in an expedient manner and allowed for a great deal of structural variability. Among them. the piperazinone-based inhibitors were found to be not only active against factor Xa but also selective over thrombin. Optimization of the P4 moiety yielded several potent compounds with IC50 below 1 nM against factor Xa. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01037-5
• 作为产物：
  描述：

  (S)-2-(3-(叔丁氧羰基氨基)-2-氧代哌啶-1-基)乙酸 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 benzyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
  参考文献：
  名称：

  Design, synthesis, and structure–Activity relationships of unsubstituted piperazinone-Based transition state factor Xa inhibitors

  摘要：

  A series of novel transition state factor Xa inhibitors containing a variety, of lactam ring systems as central templates was synthesized in an expedient manner and allowed for a great deal of structural variability. Among them. the piperazinone-based inhibitors were found to be not only active against factor Xa but also selective over thrombin. Optimization of the P4 moiety yielded several potent compounds with IC50 below 1 nM against factor Xa. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01037-5

文献信息

• RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS
  申请人：Arizona Board of Regents on Behalf of Arizona State University

  公开号：US20180002709A1

  公开（公告）日：2018-01-04

  Modified ribosomes that were selected using a dipeptidyl-puromycin aminonucleoside are used to mediate site-specific incorporation of one or more peptides and peptidomimetics into protein in a cell free translation system. In addition, new fluorescent dipeptidomimetics have been synthesized and incorporated into proteins, as well as modified proteins containing one or more non-naturally occurring dipeptides.
• US6034215A
  申请人：——

  公开号：US6034215A

  公开（公告）日：2000-03-07
• [EN] RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS<br/>[FR] INCORPORATION MÉDIÉE PAR LES RIBOSOMES DE PEPTIDES ET DE PEPTIDOMIMÉTIQUES
  申请人：ARIZON BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY

  公开号：WO2016118877A1

  公开（公告）日：2016-07-28

  Modified ribosomes that were selected using a dipeptidyl-puromycin aminonucleoside are used to mediate site-specific incorporation of one or more peptides and peptidomimetics into protein in a cell free translation system. In addition, new fluorescent dipeptidomimetics have been synthesized and incorporated into proteins, as well as modified proteins containing one or more non-naturally occurring dipeptides.