(R)-5-Azidomethyl-3-[1-(3-fluoro-4-thiomorpholin-4-yl-phenyl)-1H-pyrrol-3-yl]-oxazolidin-2-one | 691863-26-0

• 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: (R)-5-Azidomethyl-3-[1-(3-fluoro-4-thiomorpholin-4-yl-phenyl)-1H-pyrrol-3-yl]-oxazolidin-2-one
• CAS: 691863-26-0
• 化学式: C₁₈H₁₉FN₆O₂S
• 分子量: 402.452
• InChiKey: MIKQBGHCEJQHLE-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.81
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  86.47
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-5-Azidomethyl-3-[1-(3-fluoro-4-thiomorpholin-4-yl-phenyl)-1H-pyrrol-3-yl]-oxazolidin-2-one 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、379.21 kPa 条件下， 反应 2.0h， 生成 (S)-5-Aminomethyl-3-[1-(3-fluoro-4-thiomorpholin-4-yl-phenyl)-1H-pyrrol-3-yl]-oxazolidin-2-one
  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
• 作为产物：
  描述：

  (R)-3-[1-(3-Fluoro-4-thiomorpholin-4-yl-phenyl)-1H-pyrrol-3-yl]-5-hydroxymethyl-oxazolidin-2-one 在 sodium azide 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.33h， 生成 (R)-5-Azidomethyl-3-[1-(3-fluoro-4-thiomorpholin-4-yl-phenyl)-1H-pyrrol-3-yl]-oxazolidin-2-one
  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