4-(4-ethyl-5-fluoro-2-methoxy-phenoxy)-3-fluoro-benzoic acid | 1293368-01-0

• 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: 4-(4-ethyl-5-fluoro-2-methoxy-phenoxy)-3-fluoro-benzoic acid
• 英文别名: 4-(4-Ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid
• CAS: 1293368-01-0
• 化学式: C₁₆H₁₄F₂O₄
• 分子量: 308.282
• InChiKey: IBLDXHNDBHGWOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(4-ethyl-5-fluoro-2-methoxy-phenoxy)-3-fluoro-benzoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 potassium hydroxide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 1.0h， 生成 4-fluoro-2-{2-fluoro-4-[(3-oxopiperazin-1-yl)carbonyl]phenoxy}-5-ethylphenyl ethyl carbonate
  参考文献：
  名称：

  [EN] NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS
  [FR] NOUVELLES ACYLPIPÉRAZINONES ET LEUR UTILISATION EN TANT QUE PHARMACEUTIQUES

  摘要：

  这项发明涉及新型酰基哌嗪酮化合物，涉及该化合物及其中间体的制备，涉及将该化合物用作抗菌药物以及含有该化合物的药物组合物的用途。

  公开号：

  WO2011048153A1
• 作为产物：
  描述：

  2-氟-4-羟基-5-甲氧基苯乙酮 在 水 、 potassium hydroxide 、 sodium hydroxide 、 锌 作用下， 以 甲醇 、 溶剂黄146 、 乙腈 为溶剂， 反应 2.0h， 生成 4-(4-ethyl-5-fluoro-2-methoxy-phenoxy)-3-fluoro-benzoic acid
  参考文献：
  名称：

  From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria

  摘要：

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.

  DOI：

  10.1021/jm301113w

文献信息

• NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS
  申请人：FAB PHARMA S.A.S.

  公开号：US20130137689A1

  公开（公告）日：2013-05-30

  The invention relates to novel acylpiperazinone compounds, to the preparation of the compounds and intermediates used therein, to the use of the compounds as antibacterial medicaments and pharmaceutical compositions containing the compounds.

  本发明涉及新型酰基哌嗪酮化合物，以及制备该化合物和其中间体的方法，利用该化合物作为抗菌药物和含有该化合物的制药组合物。
• Acylpiperazinones and their use as pharmaceuticals
  申请人：Gerusz Vincent

  公开号：US08383621B2

  公开（公告）日：2013-02-26

  The invention relates to novel acylpiperazinone compounds, to the preparation of the compounds and intermediates used therein, to the use of the compounds as antibacterial medicaments and pharmaceutical compositions containing the compounds.

  本发明涉及新型酰基哌嗪酮化合物，其制备方法和中间体，以及将该化合物用作抗菌药物和含有该化合物的制药组合物。
• US8383621B2
  申请人：——

  公开号：US8383621B2

  公开（公告）日：2013-02-26
• US8623865B2
  申请人：——

  公开号：US8623865B2

  公开（公告）日：2014-01-07
• From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria
  作者：Vincent Gerusz、Alexis Denis、Fabien Faivre、Yannick Bonvin、Mayalen Oxoby、Sophia Briet、Géraldine LeFralliec、Chrystelle Oliveira、Nicolas Desroy、Cédric Raymond、Laëtitia Peltier、François Moreau、Sonia Escaich、Vanida Vongsouthi、Stéphanie Floquet、Elodie Drocourt、Armelle Walton、Laure Prouvensier、Marc Saccomani、Lionel Durant、Jean-Marie Genevard、Vanessa Sam-Sambo、Coralie Soulama-Mouze

  DOI：10.1021/jm301113w

  日期：2012.11.26

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.