N-[(1S,2R)-1-(hydrazinocarbonyl)-2-hydroxypropyl]-4-(methyloxy)benzamide | 728867-38-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(1S,2R)-1-(hydrazinocarbonyl)-2-hydroxypropyl]-4-(methyloxy)benzamide
• 英文别名: N-[(2S,3R)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide
• CAS: 728867-38-7
• 化学式: C₁₂H₁₇N₃O₄
• 分子量: 267.285
• InChiKey: PXYOWEASRCQOOR-XCBNKYQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  114
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[(1S,2R)-1-(hydrazinocarbonyl)-2-hydroxypropyl]-4-(methyloxy)benzamide 、 苯甲醛 以 甲醇 为溶剂， 生成 N-((2S,3R)-1-((E)-2-benzylidenehydrazinyl)-3-hydroxy-1-oxobutan-2-yl)-4-methoxybenzamide
  参考文献：
  名称：

  SAR and molecular mechanism study of novel acylhydrazone compounds targeting HIV-1 CA

  摘要：

  We synthesized a series of acylhydrazone compounds bearing naturally occurring amino acids' side chains as HIV assembly inhibitors. Biological evaluation indicated that the compounds had anti-SIV and capsid assembly inhibitory activities. The structure-activity relationship (SAR) study showed that compounds bearing proper aromatic side chains had potential antiviral activities. The molecular modeling experiments revealed the molecular mechanism that they could bind to CA in the same manner as CAP-1 and occupy two more grooves. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.02.003
• 作为产物：
  描述：

  (2S,3R)-methyl-2-(4-methoxybenzamido)-3-hydroxybutanoate 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 N-[(1S,2R)-1-(hydrazinocarbonyl)-2-hydroxypropyl]-4-(methyloxy)benzamide
  参考文献：
  名称：

  SAR and molecular mechanism study of novel acylhydrazone compounds targeting HIV-1 CA

  摘要：

  We synthesized a series of acylhydrazone compounds bearing naturally occurring amino acids' side chains as HIV assembly inhibitors. Biological evaluation indicated that the compounds had anti-SIV and capsid assembly inhibitory activities. The structure-activity relationship (SAR) study showed that compounds bearing proper aromatic side chains had potential antiviral activities. The molecular modeling experiments revealed the molecular mechanism that they could bind to CA in the same manner as CAP-1 and occupy two more grooves. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.02.003

文献信息

• Antibacterial agents
  申请人：Andersen H. Niels

  公开号：US20060154988A1

  公开（公告）日：2006-07-13

  Antibacterial compounds of formula I are provided: As well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  提供化学式I的抗菌化合物：以及其立体异构体，药学上可接受的盐，酯和前药; 包含这些化合物的药物组合物; 通过给予这些化合物的给药治疗细菌感染的方法; 以及合成这些化合物的过程。
• ANTIBACTERIAL AGENTS
  申请人：Andersen Niels H.

  公开号：US20080269221A1

  公开（公告）日：2008-10-30

  Antibacterial compounds of formula I are provided: As well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  提供化学式I的抗菌化合物：以及立体异构体，药学上可接受的盐，酯和前药; 包含这些化合物的制药组合物; 通过给予这些化合物的途径治疗细菌感染的方法; 以及制备这些化合物的工艺。
• Antibacterial Agents
  申请人：Andersen Niels H.

  公开号：US20100324025A1

  公开（公告）日：2010-12-23

  Antibacterial compounds of formula I are provided: As well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  提供公式I的抗菌化合物：以及其对映异构体，药学上可接受的盐，酯和前药；包含这些化合物的制药组合物；通过给予这些化合物的途径治疗细菌感染的方法；以及制备这些化合物的过程。
• US7358359B2
  申请人：——

  公开号：US7358359B2

  公开（公告）日：2008-04-15
• US7989660B2
  申请人：——

  公开号：US7989660B2

  公开（公告）日：2011-08-02