(S)-N-[(3-{3-fluoro-4-[4-(5-nitro-thiophen-2-yl)-piperazin-1-yl]phenyl}-2-oxo-oxazolidin-5-yl)methyl]acetamide | 657390-39-1

• 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: (S)-N-[(3-{3-fluoro-4-[4-(5-nitro-thiophen-2-yl)-piperazin-1-yl]phenyl}-2-oxo-oxazolidin-5-yl)methyl]acetamide
• 英文别名: N-[((5S)-3-{3-fluoro-4-[4-(5-nitro-2-thienyl)piperazin-1-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide；(S)-N-[[3-[3-fluoro-4-[4-(5-nitro-2-thienyl)-1-piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide；(S)-N-[[3-[3-Fluoro-4-[4-(5-nitro-2-thienyl)-1-piperazinyl]phenyl]-2-oxo-5-oxazolidineyl]methyl]acetamide；N-[[(5S)-3-[3-fluoro-4-[4-(5-nitrothiophen-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• CAS: 657390-39-1
• 化学式: C₂₀H₂₂FN₅O₅S
• 分子量: 463.49
• InChiKey: NXFHHHLDWRQIEH-HNNXBMFYSA-N

物化性质

• 熔点：
  171-174 °C
• 沸点：
  730.5±60.0 °C(Predicted)
• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  139
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (S)-N-[(3-{3-fluoro-4-[4-(5-nitro-thiophen-2-yl)-piperazin-1-yl]phenyl}-2-oxo-oxazolidin-5-yl)methyl]acetamide 在 盐酸 、 乙醇 、 水 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 生成 (S)-N-[(3-{3-fluoro-4-[4-(5-nitro-thiophen-2-yl)-piperazin-1-yl]phenyl}-2-oxo-oxazolidin-5-yl)methyl]amine
  参考文献：
  名称：

  [EN] OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS
  [FR] DERIVES D'OXAZOLIDINONES UTILISES EN TANT QU'ANTIMICROBIENS

  摘要：

  本发明涉及某些取代苯基噁唑烷酮的化合物（I）及其合成方法。该发明还涉及含有这些化合物作为抗微生物药物的药物组合物。这些化合物是有用的抗微生物剂，对多种人类和兽医病原体有效，包括革兰氏阳性厌氧细菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧细菌，如拟杆菌属和梭菌属细菌，以及耐酸菌，如结核分枝杆菌、埃维分枝杆菌和分枝杆菌属。

  公开号：

  WO2005082899A1
• 作为产物：
  描述：

  N-{[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide trifluoroacetate 、 2-溴-5-硝基噻吩 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以46%的产率得到(S)-N-[(3-{3-fluoro-4-[4-(5-nitro-thiophen-2-yl)-piperazin-1-yl]phenyl}-2-oxo-oxazolidin-5-yl)methyl]acetamide
  参考文献：
  名称：

  [EN] OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS
  [FR] DERIVES D'OXAZOLIDINONE UTILISES COMME AGENTS ANTIMICROBIENS

  摘要：

  本发明涉及某些取代苯基噁唑烷酮及其合成方法。本发明还涉及含有本发明化合物作为抗微生物剂的药物组合物。这些化合物是有用的抗微生物剂，对许多人类和兽医病原体具有有效作用，包括革兰氏阳性的好氧菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧菌，如拟杆菌属和梭菌属菌种，以及酸性快速菌，如结核分枝杆菌、非结核分枝杆菌和分枝杆菌属菌种。

  公开号：

  WO2004014392A1

文献信息

• [EN] OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS<br/>[FR] DERIVES D'OXAZOLIDINONES UTILISES EN TANT QU'ANTIMICROBIENS
  申请人：RANBAXY LAB LTD

  公开号：WO2005082899A1

  公开（公告）日：2005-09-09

  The present invention relates to certain substituted phenyl oxazolidinones of formula (I) and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing such compounds as antimicrobials. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiple-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacterioides spp. and Clostridia spp. species, and acid-fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  本发明涉及某些取代苯基噁唑烷酮的化合物（I）及其合成方法。该发明还涉及含有这些化合物作为抗微生物药物的药物组合物。这些化合物是有用的抗微生物剂，对多种人类和兽医病原体有效，包括革兰氏阳性厌氧细菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧细菌，如拟杆菌属和梭菌属细菌，以及耐酸菌，如结核分枝杆菌、埃维分枝杆菌和分枝杆菌属。
• [EN] 4-PYRIMIDINYLAMINO-BENZENESULFONAMIDE DERIVATIVES AND THEIR USE FOR THE INHIBITION OF POLO-LIKE KINASE 1 (PLK1) FOR THE TREATMENT OF CANCER AND THEIR USE FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] DÉRIVÉS DE 4-PYRIMIDINYLAMINO-BENZÈNESULFONAMIDE ET LEUR UTILISATION DANS L'INHIBITION DE LA PLK1 (POLO-LIKE KINASE 1) POUR LE TRAITEMENT DU CANCER ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES INFECTIEUSES
  申请人：VICHEM CHEMIE KUTATÓ KFT

  公开号：WO2014106762A1

  公开（公告）日：2014-07-10

  The present invention relates to 4-pyrimidinylamino-benzenesulfonamide derivatives of general formula (I) and pharmaceutically acceptable salts, solvates, hydrates, regioisomeric and polymorphic forms thereof, processes for manufacturing of them, the use of them, as well as pharmaceutical compositions containing at least one of them as pharmaceutically active agent(s) together with pharmaceutically acceptable carrier, excipient and/or diluents, especially for the inhibition of polo-like kinases (PLKs) and the treatment of cancer. Said 4-pyrimidinylamino-benzenesulfonamide compounds have been also identified as new drug candidates for the prevention and/or treatment of infectious diseases like bacterial diseases e.g. tuberculosis, including the currently multidrug-resistant tuberculosis (MDR-TB), extensively drug-resistant tuberculosis (XDR-TB) as well as for preventing tuberculosis.˙

  本发明涉及一般式(I)的4-嘧啶基氨基苯磺酰胺衍生物及其药学上可接受的盐、溶剂化合物、水合物、构异体和多晶形式，其制造过程，以及它们的用途，以及至少包含其中一种作为药用活性剂的药物组合物，连同药学上可接受的载体、赋形剂和/或稀释剂，特别用于抑制波罗样激酶（PLKs）并治疗癌症。所述的4-嘧啶基氨基苯磺酰胺化合物还被鉴定为预防和/或治疗细菌性疾病（如结核病）等传染病的新药候选化合物，包括目前的多药耐药结核病（MDR-TB）、广泛耐药结核病（XDR-TB）以及预防结核病。
• [EN] OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS<br/>[FR] DERIVES D'OXAZOLIDINONE UTILISES COMME AGENTS ANTIMICROBIENS
  申请人：RANBAXY LAB LTD

  公开号：WO2004014392A1

  公开（公告）日：2004-02-19

  The present invention relates to certain substituted phenyl oxazolidinones and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing the compounds of the present invention as antimicrobials. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiple-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacterioides spp. and Clostridia spp. species, and acid fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  本发明涉及某些取代苯基噁唑烷酮及其合成方法。本发明还涉及含有本发明化合物作为抗微生物剂的药物组合物。这些化合物是有用的抗微生物剂，对许多人类和兽医病原体具有有效作用，包括革兰氏阳性的好氧菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧菌，如拟杆菌属和梭菌属菌种，以及酸性快速菌，如结核分枝杆菌、非结核分枝杆菌和分枝杆菌属菌种。
• Oxazolidinone derivatives as antimicrobials
  申请人：Mehta Anita

  公开号：US20060293307A1

  公开（公告）日：2006-12-28

  The present invention relates to certain substituted phenyl oxazolidinones and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing the compounds of the present invention as antimicrobials. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiple-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacterioides spp. and Clostridia spp. species, and acid fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  本发明涉及某些取代苯基噁唑烷酮以及其合成方法。本发明还涉及含有本发明化合物作为抗微生物药物的制药组合物。这些化合物是有用的抗微生物剂，对许多人类和兽医病原体具有有效作用，包括革兰氏阳性的需氧菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧菌，如Bacterioides属和Clostridiaspp.种，以及酸性快速生长菌，如结核分枝杆菌、埃维菌分枝杆菌和分枝杆菌属。
• OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS
  申请人：RANBAXY LABORATORIES, LTD.

  公开号：EP1542696A1

  公开（公告）日：2005-06-22