N-((S)-3-{6-[4-(4-Nitro-benzenesulfonyl)-piperazin-1-yl]-pyridin-3-yl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide | 849145-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-((S)-3-{6-[4-(4-Nitro-benzenesulfonyl)-piperazin-1-yl]-pyridin-3-yl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
• 英文别名: N-[[(5S)-3-[6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• CAS: 849145-88-6
• 化学式: C₂₁H₂₄N₆O₇S
• 分子量: 504.524
• InChiKey: GDJYJVBZJWYILU-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  166
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-((S)-3-{6-[4-(4-Nitro-benzenesulfonyl)-piperazin-1-yl]-pyridin-3-yl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以70%的产率得到N-((S)-3-{6-[4-(4-Amino-benzenesulfonyl)-piperazin-1-yl]-pyridin-3-yl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
  参考文献：
  名称：

  Syntheses and antibacterial activity of a series of 3-(pyridine-3-yl)-2-oxazolidinone

  摘要：

  The syntheses of substituted piperazinyl pyridyl oxazolidinones 8-16 are described. Their in vitro activities against Gram-positive organisms such as Staphylococcus aureus, Staphylococcus epidermidis, Streptococcus and enterococcus were evaluated by minimum inhibitory concentration (MIC) determination. Compound 8 and 10 were found to be superior to linezolid. (C) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.10.012
• 作为产物：
  描述：

  6-(1-哌嗪基)-3-吡啶胺 在 palladium on activated charcoal 正丁基锂 、 sodium azide 、 氢气 、 sodium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 46.5h， 生成 N-((S)-3-{6-[4-(4-Nitro-benzenesulfonyl)-piperazin-1-yl]-pyridin-3-yl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
  参考文献：
  名称：

  Syntheses and antibacterial activity of a series of 3-(pyridine-3-yl)-2-oxazolidinone

  摘要：

  The syntheses of substituted piperazinyl pyridyl oxazolidinones 8-16 are described. Their in vitro activities against Gram-positive organisms such as Staphylococcus aureus, Staphylococcus epidermidis, Streptococcus and enterococcus were evaluated by minimum inhibitory concentration (MIC) determination. Compound 8 and 10 were found to be superior to linezolid. (C) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.10.012

文献信息

• Syntheses and antibacterial activity of a series of 3-(pyridine-3-yl)-2-oxazolidinone
  作者：Yingjie Cui、Yaxian Dang、Yushe Yang、Shuhua Zhang、Ruyun Ji

  DOI：10.1016/j.ejmech.2004.10.012

  日期：2005.2

  The syntheses of substituted piperazinyl pyridyl oxazolidinones 8-16 are described. Their in vitro activities against Gram-positive organisms such as Staphylococcus aureus, Staphylococcus epidermidis, Streptococcus and enterococcus were evaluated by minimum inhibitory concentration (MIC) determination. Compound 8 and 10 were found to be superior to linezolid. (C) 2005 Elsevier SAS. All rights reserved.