N-(((S)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(((S)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
• 英文别名: N-[[(5S)-3-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• 化学式: C₁₆H₁₆FN₃O₄
• 分子量: 333.319
• InChiKey: ZYVPPMWBVIQPPH-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  84.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  硝基乙烷 、 三丁基乙烯锡 、 (S)-N-[3-(3-氟-4-碘-苯基)-2-氧代-唑烷-5-甲基]-乙酰氨 在 TEA 、 异氰酸苯酯 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 1,4-二氧六环 为溶剂， 生成 N-(((S)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
  参考文献：
  名称：

  New carbon-linked azole oxazolidinones with improved potency and pharmacokinetics

  摘要：

  Substitution of phenyl oxazolidinones with carbon-linked azoles resulted in the discovery of a new class of potent oxazolidinones that have excellent Gram-positive activity. In addition, replacement of the C-5 acetamide side chains with a 4-methyl triazole diminished monoamine oxidase activity. The synthesis and biological evaluation of these compounds are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.063

文献信息

• New carbon-linked azole oxazolidinones with improved potency and pharmacokinetics
  作者：Sheila I. Hauck、Christer Cederberg、Amanda Doucette、Lena Grosser、Neil J. Hales、Grace Poon、Michael B. Gravestock

  DOI：10.1016/j.bmcl.2006.10.063

  日期：2007.1

  Substitution of phenyl oxazolidinones with carbon-linked azoles resulted in the discovery of a new class of potent oxazolidinones that have excellent Gram-positive activity. In addition, replacement of the C-5 acetamide side chains with a 4-methyl triazole diminished monoamine oxidase activity. The synthesis and biological evaluation of these compounds are reported. (c) 2006 Elsevier Ltd. All rights reserved.