1-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro phenyl]ethanone-O-methyloxime | 1403681-56-0

• 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: 1-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro phenyl]ethanone-O-methyloxime
• 英文别名: 5-ethyl-2-[2-fluoro-4-(N-methoxy-C-methylcarbonimidoyl)phenoxy]phenol
• CAS: 1403681-56-0
• 化学式: C₁₇H₁₈FNO₃
• 分子量: 303.333
• InChiKey: IXXLGRHTRPLUNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  51
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3',4'-二氟苯乙酮 在 三溴化硼 、 三乙胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 1-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro phenyl]ethanone-O-methyloxime
  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

• Hydroxyphenyl derivatives and biological applications thereof
  申请人：Mutabilis SA

  公开号：EP1845087A1

  公开（公告）日：2007-10-17

  The invention relates to hydroxyphenyl derivatives of formula (I) and the pharmaceutically acceptable salts, the organic and mineral salts, the racemic and each non racemic derivatives, the cis (Z) and Lrans (E) isomers the tautomers. Application particularly as anti-bacterial and/or anti-parasite agents.

  该发明涉及公式(I)的羟基苯基衍生物及其药用可接受的盐，有机和矿物盐，外消旋和每种非外消旋衍生物，顺式（Z）和反式（E）异构体，互变异构体。特别用作抗菌和/或抗寄生虫剂。
• Hydroxyphenyl Derivatives and Biological Applications Thereof
  申请人：Denis Alexis

  公开号：US20100041658A1

  公开（公告）日：2010-02-18

  The invention relates to hydroxyphenyl derivatives of formula (I); and uses thereof as anti-bacterial and/or anti-parasitic agents.

  本发明涉及公式（I）的羟基苯基衍生物；以及其作为抗菌和/或抗寄生虫剂的用途。
• HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF
  申请人：FAB PHARMA S.A.S.

  公开号：US20140213589A1

  公开（公告）日：2014-07-31

  The invention relates to hydroxyphenyl derivatives of formula (I); and uses thereof as anti-bacterial and/or anti-parasitic agents.

  本发明涉及公式（I）的羟基苯基衍生物；以及它们作为抗菌和/或抗寄生虫剂的用途。
• US8722746B2
  申请人：——

  公开号：US8722746B2

  公开（公告）日：2014-05-13
• US9309179B2
  申请人：——

  公开号：US9309179B2

  公开（公告）日：2016-04-12