O-methyl N-[[(5S)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate | 1219707-05-7

• 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: O-methyl N-[[(5S)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
• CAS: 1219707-05-7
• 化学式: C₁₆H₂₀FN₅O₃S
• 分子量: 381.431
• InChiKey: DEDPGNUZACKEMF-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  O-methyl N-[[(5S)-3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate 、 碘甲烷 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以23%的产率得到O-methyl N-[[(5S)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
  参考文献：
  名称：

  [EN] NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF
  [FR] NOUVEAUX DÉRIVÉS D'OXAZOLIDINONE AVEC UNE AMIDOXIME CYCLIQUE OU UNE AMIDRAZONE CYCLIQUE ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT

  摘要：

  公开号：

  WO2010036000A3

文献信息

• Novel Oxazolidinone Derivatives with Cyclic Amidoxime or Cyclic Amidrazone and Pharmaceutical Compositions Thereof
  申请人：Cho Young Lag

  公开号：US20110178293A1

  公开（公告）日：2011-07-21

  Disclosed is a novel oxazolidinone derivative, particularly a novel oxazolidinone compound with a cyclic amidoxime or cyclic amidrazone group. Also disclosed is a pharmaceutical antibiotic composition including a novel oxazolidinone derivative, a prodrug thereof, a hydrate thereof, a solvate thereof, an isomer thereof or a pharmaceutically acceptable salt thereof as an effective ingredient. Because the novel oxazolidinone derivative, a prodrug thereof, a hydrate thereof, a solvate thereof, an isomer thereof or a pharmaceutically acceptable salt thereof exhibits a wide antibacterial spectrum against resistant bacteria, a low toxicity, and a strong antibacterial activity against Gram-positive and Gram-negative bacteria, it can be usefully used as an antibiotic.
• US8242113B2
  申请人：——

  公开号：US8242113B2

  公开（公告）日：2012-08-14
• [EN] NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS D'OXAZOLIDINONE AVEC UNE AMIDOXIME CYCLIQUE OU UNE AMIDRAZONE CYCLIQUE ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT
  申请人：LEGOCHEM BIOSCIENCE LTD

  公开号：WO2010036000A3

  公开（公告）日：2010-07-15