3-[[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]methyl]benzaldehyde | 907594-87-0

• 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: 3-[[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]methyl]benzaldehyde
• CAS: 907594-87-0
• 化学式: C₂₄H₂₅FN₆O₃
• 分子量: 464.499
• InChiKey: ABBJZGFTGJXEFF-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  间苯二甲醛 、 (R)-5-((1H-1,2,3-triazol-1-yl)methyl)-3-(3-fluoro-4-(piperazin-1-yl)phenyl)oxazolidin-2-one hydrochloride 在 甲酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以58%的产率得到3-[[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]methyl]benzaldehyde
  参考文献：
  名称：

  Synthesis and biological evaluation of new N-linked 5-triazolylmethyl oxazolidinones

  摘要：

  A new series of oxazolidinones bearing N-linked 5-triazolylmethyl group have been synthesized and their in vitro antibacterial activities (MIC) were evaluated against a spectrum of resistant and susceptible Gram-positive organisms. Some of the analogues in this series displayed activity superior to linezolid and vancomycin. Furthermore, in vivo efficacies and pharmacokinetic properties of the selected compounds were also disclosed herein; the selected compounds showed reasonable bioavailability as well as in vivo efficacy comparable to that of linezolid. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.09.010

文献信息

• Synthesis and biological evaluation of new N-linked 5-triazolylmethyl oxazolidinones
  作者：Houxing Fan、Yilang Chen、Zhiteng Jiang、Shuhua Zhang、Dafang Zhong、Ruyun Ji、Yushe Yang

  DOI：10.1016/j.ejmech.2007.09.010

  日期：2008.8

  A new series of oxazolidinones bearing N-linked 5-triazolylmethyl group have been synthesized and their in vitro antibacterial activities (MIC) were evaluated against a spectrum of resistant and susceptible Gram-positive organisms. Some of the analogues in this series displayed activity superior to linezolid and vancomycin. Furthermore, in vivo efficacies and pharmacokinetic properties of the selected compounds were also disclosed herein; the selected compounds showed reasonable bioavailability as well as in vivo efficacy comparable to that of linezolid. (c) 2007 Elsevier Masson SAS. All rights reserved.