N-[[(5S)-3-[1-(3-fluoro-4-thiomorpholino-phenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: N-[[(5S)-3-[1-(3-fluoro-4-thiomorpholino-phenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
• 英文别名: N-[[(5S)-3-[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• 化学式: C₂₀H₂₃FN₄O₃S
• 分子量: 418.492
• InChiKey: PZFZQNLORYXVEG-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氟-4-硫吗啉-4-基苯胺 在 palladium on activated charcoal sodium hydroxide 、 正丁基锂 、 sodium azide 、 二苯基膦叠氮化物 、 氢气 、 silver nitrate 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， -78.0~65.0 ℃ 、379.21 kPa 条件下， 反应 31.25h， 生成 N-[[(5S)-3-[1-(3-fluoro-4-thiomorpholino-phenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
  参考文献：
  名称：

  Synthesis and in vitro antimycobacterial activity of novel 3-(1H-pyrrol-1-yl)-2-oxazolidinone analogues of PNU-100480

  摘要：

  Pursuing our search program for new antitubercular drugs we decided to explore the potentiality of oxazolidinone moiety by synthesizing novel 3-(1H-pyrrol-1-yl)-2-oxazolidinone analogues of PNU-100480. The new derivatives were tested against atypical mycobacteria as well as against drug resistant Mycobacterium tuberculosis and some of them exhibited a fairly good activity against Mycobacterium avium complex (MAC). (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.01.010

文献信息

• Synthesis and in vitro antimycobacterial activity of novel 3-(1H-pyrrol-1-yl)-2-oxazolidinone analogues of PNU-100480
  作者：Gianluca Sbardella、Antonello Mai、Marino Artico、Roberta Loddo、Maria Grazia Setzu、Paolo La Colla

  DOI：10.1016/j.bmcl.2004.01.010

  日期：2004.3

  Pursuing our search program for new antitubercular drugs we decided to explore the potentiality of oxazolidinone moiety by synthesizing novel 3-(1H-pyrrol-1-yl)-2-oxazolidinone analogues of PNU-100480. The new derivatives were tested against atypical mycobacteria as well as against drug resistant Mycobacterium tuberculosis and some of them exhibited a fairly good activity against Mycobacterium avium complex (MAC). (C) 2004 Published by Elsevier Ltd.