(S)-N-{3-[4-(4-cyanomethylidene-α-ethoxycarboxypiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide | 648919-97-5

• 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: (S)-N-{3-[4-(4-cyanomethylidene-α-ethoxycarboxypiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
• 英文别名: N-[[(5S)-3-[3-fluoro-4-((4-(1-ethoxycarbonyl-cyano)-methylidene)-piperidinyl)-phenyl]-2-oxo-5-oxazolidinyl]-methyl]-acetamide；(S)-N-{3-[4-(4-(1-cyano-1-ethoxycarbonyl-methylidene)-piperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide；ethyl 2-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperidin-4-ylidene]-2-cyanoacetate
• CAS: 648919-97-5
• 化学式: C₂₂H₂₅FN₄O₅
• 分子量: 444.463
• InChiKey: VHUCPMZFZUTSOD-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (S)-N-{3-[4-(4-cyanomethylidene-α-ethoxycarboxypiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide 在 乙醇 、 氰化钠 、 水 作用下， 反应 18.0h， 以25%的产率得到(S)-N-{3-[4-(4-cyanomethyl-4-cyanopiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
  参考文献：
  名称：

  [EN] SUBSTITUTED PIPERIDINO PHENYLOXAZOLIDINONES HAVING ANTIMICRIOBIAL ACTIVITY WITH IMPROVED IN VIVO EFFICACY
  [FR] PIPERIDINO PHENYLOXAZOLIDINONES SUBSTITUEES DONT L'ACTIVITE ANTIMICROBIENNE A UN MEILLEUR RENDEMENT IN VIVO

  摘要：

  公开号：

  WO2005054234A3
• 作为产物：
  描述：

  氰乙酸乙酯 、 N-[3-{3-fluoro-4-(4-oxo-piperidin-1-yl)-phenyl}-2-oxo-oxazolidin-5-ylmethyl]-acetamide 在 aluminum oxide 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以61%的产率得到(S)-N-{3-[4-(4-cyanomethylidene-α-ethoxycarboxypiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
  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

文献信息

• 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。
• 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。
• ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Patel, Mahesh V.

  公开号：EP1565461A2

  公开（公告）日：2005-08-24
• US7405228B2
  申请人：——

  公开号：US7405228B2

  公开（公告）日：2008-07-29
• [EN] ANTIBACTERIAL CYANO-(SUBSTITUTED)-METHYLENEPIPERIDINOPHENYL OXAZOLIDINONES TARGETING MULTIPLE RIBONUCLEOPROTEIN SITES<br/>[FR] ANTIBACTERIENS A BASE DE METHYLENEPIPERIDINOPHENYL OXAZOLIDINONES A SUBSTITUTION CYANO CIBLANT DE MULTIPLES SITES DE RIBONUCLEOPROTEINES
  申请人：PATEL MAHESH V

  公开号：WO2004007489A2

  公开（公告）日：2004-01-22

  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.