[(5S)-3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea | 765314-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: [(5S)-3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
• CAS: 765314-26-9
• 化学式: C₁₈H₁₉FN₄O₂S₂
• 分子量: 406.505
• InChiKey: UUJOPRLOQUYEBJ-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [(5S)-3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea 在 mercury(II) diacetate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以12%的产率得到
  参考文献：
  名称：

  Novel tetrahydro-thieno pyridyl oxazolidinone: an antibacterial agent

  摘要：

  Synthesis of a number of 4,5,6,7-tetrahydro-thieno[3,2-c]pyridine substituted oxazolidinones have been reported. They have been screened against a panel of Gram-positive pathogens including methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus faecalis. A SAR has been developed. Compound 15 showed comparable activity (MIC) to linezolid and superior to eperezolid. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.07.019
• 作为产物：
  描述：

  (S)-5-Aminomethyl-3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-phenyl]-oxazolidin-2-one 在 氨 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 9.0h， 生成 [(5S)-3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
  参考文献：
  名称：

  Novel tetrahydro-thieno pyridyl oxazolidinone: an antibacterial agent

  摘要：

  Synthesis of a number of 4,5,6,7-tetrahydro-thieno[3,2-c]pyridine substituted oxazolidinones have been reported. They have been screened against a panel of Gram-positive pathogens including methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus faecalis. A SAR has been developed. Compound 15 showed comparable activity (MIC) to linezolid and superior to eperezolid. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.07.019