N-[[(5S)-3-[3-fluoro-4-(4-(cyanomethylidene)-piperidinyl)-phenyl]-2-oxo-5-oxazolidinyl]-methyl]-thioacetamide | 648919-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-[[(5S)-3-[3-fluoro-4-(4-(cyanomethylidene)-piperidinyl)-phenyl]-2-oxo-5-oxazolidinyl]-methyl]-thioacetamide
• 英文别名: N-[[(5S)-3-[4-[4-(cyanomethylidene)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
• CAS: 648919-28-2
• 化学式: C₁₉H₂₁FN₄O₂S
• 分子量: 388.466
• InChiKey: RMFLSFOARRWYQQ-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[[(5S)-3-[3-fluoro-4-(4-(cyanomethylidene)-piperidinyl)-phenyl]-2-oxo-5-oxazolidinyl]-methyl]-thioacetamide 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 N-[[(5S)-3-[3-fluoro-4-(4-(cyanomethylidene)-piperidinyl)-phenyl]-2-oxo-5-oxazolidinyl]-methyl]-thioacetamide hydrochloride salt
  参考文献：
  名称：

  Methylidene oxazolidinone compound and preparation method thereof

  摘要：

  由化学式（1）表示的甲基亚胺噁唑啉酮化合物或其药用可接受的盐，以及其制备方法，对包括耐甲氧西林金黄色葡萄球菌和耐万古霉素肠球菌在内的革兰氏阳性细菌表现出卓越的抗菌活性。

  公开号：

  US20040087633A1
• 作为产物：
  描述：

  N-[3-{3-fluoro-4-(4-oxo-piperidin-1-yl)-phenyl}-2-oxo-oxazolidin-5-ylmethyl]-acetamide 在 劳森试剂 、 sodium hydride 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 N-[[(5S)-3-[3-fluoro-4-(4-(cyanomethylidene)-piperidinyl)-phenyl]-2-oxo-5-oxazolidinyl]-methyl]-thioacetamide
  参考文献：
  名称：

  Synthesis and in vitro activity of new methylenepiperidinyl and methylenepyrrolidinyl oxazolidinone antibacterial agents

  摘要：

  We have prepared and evaluated the antibacterial activities of a series of substituted methylenepiperidinyl and methyl-enepyrrolidinyl oxazolidinones against several gram-positive strains including the resistant strains of Staphyloccus and Enterococcus, such as MRSA, CRSA, MSSA and VRE. Some of them showed comparable or superior in vitro activities (MIC) to vancomycin. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00249-x

文献信息

• Antibacterial cyano-(substituted)-methylenepiperidinophenyl oxazolidinones targeting multiple ribonucleoprotein sites
  申请人：WOCKHARDT LIMITED

  公开号：US20040063954A1

  公开（公告）日：2004-04-01

  The present invention provides agents having high antimicrobial activity for preventing and treating infectious diseases. Thus, the present invention provides novel cyano-(substituted)-methylenepiperidinophenyl oxazolidinone derivatives, processes for making the compounds, as well as antimicrobial compositions containing said derivatives as active ingredients and methods of treating bacterial infections with the said derivatives.

  本发明提供了具有高抗微生物活性的代理，用于预防和治疗传染病。因此，本发明提供了新型的氰基-（取代）-亚甲基哌啶基苯氧唑烷衍生物、制备该化合物的方法，以及包含该衍生物作为活性成分的抗微生物组合物和使用该衍生物治疗细菌感染的方法。
• US7405228B2
  申请人：——

  公开号：US7405228B2

  公开（公告）日：2008-07-29
• Methylidene oxazolidinone compound and preparation method thereof
  申请人：Korea Institute of Science and Technology

  公开号：US20040087633A1

  公开（公告）日：2004-05-06

  A methylidene oxazolidinone compound represented by formula (1) or a pharmaceutically acceptable salt thereof, and a preparation method thereof, showing superior antimicrobial activities against gram-positive germs including resistant strains such as methicillic-resistant staphylococcus aureus and vancomycin-resistant enterococcus: 1

  由化学式（1）表示的甲基亚胺噁唑啉酮化合物或其药用可接受的盐，以及其制备方法，对包括耐甲氧西林金黄色葡萄球菌和耐万古霉素肠球菌在内的革兰氏阳性细菌表现出卓越的抗菌活性。
• Synthesis and in vitro activity of new methylenepiperidinyl and methylenepyrrolidinyl oxazolidinone antibacterial agents
  作者：Hye Yeon Kim、Jae Seok Lee、Joo Hwan Cha、Ae Nim Pae、Yong Seo Cho、Moon Ho Chang、Hun Yeong Koh

  DOI：10.1016/s0960-894x(03)00249-x

  日期：2003.7

  We have prepared and evaluated the antibacterial activities of a series of substituted methylenepiperidinyl and methyl-enepyrrolidinyl oxazolidinones against several gram-positive strains including the resistant strains of Staphyloccus and Enterococcus, such as MRSA, CRSA, MSSA and VRE. Some of them showed comparable or superior in vitro activities (MIC) to vancomycin. (C) 2003 Elsevier Science Ltd. All rights reserved.