3-fluoro-4'-hydroxy-1,1'-biphenyl-4-carbaldehyde oxime | 716344-52-4

• 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: 3-fluoro-4'-hydroxy-1,1'-biphenyl-4-carbaldehyde oxime
• 英文别名: 4-[3-fluoro-4-(hydroxyiminomethyl)phenyl]phenol
• CAS: 716344-52-4
• 化学式: C₁₃H₁₀FNO₂
• 分子量: 231.226
• InChiKey: MTXLTZQHMBVGGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氟-4'-羟基联苯-4-甲醛 在 吡啶 、 盐酸羟胺 作用下， 以 甲醇 为溶剂， 反应 6.0h， 以20 mg的产率得到3-fluoro-4'-hydroxy-1,1'-biphenyl-4-carbaldehyde oxime
  参考文献：
  名称：

  Biphenyl C-cyclopropylalkylamides: New scaffolds for targeting estrogen receptor β

  摘要：

  The C-cyclopropylalkylamide scaffold was previously identified as a new structural framework for antiestrogens. A second generation library provided three compounds that bind estrogen receptor ( ER) a. Further screening of this library identified an ER beta hit and inspired another round of SAR. A new focused library was tested for binding to the ERs, and for effects on the growth of breast cancer cell lines and protein levels of common cell cycle regulators. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.075

文献信息

• Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents
  申请人：Mewshaw Eric Richard

  公开号：US20050020676A1

  公开（公告）日：2005-01-27

  This invention provides estrogen receptor modulators having the structure: wherein R 1 to R 6 and R 8 are as defined in the specification; or a pharmaceutically acceptable salt thereof.

  本发明提供了具有以下结构的雌激素受体调节剂：其中R1至R6和R8的定义如规范中所述；或其药学上可接受的盐。
• Hydroxy-Biphenyl-Carbaldehyde Oxime Derivatives and Their Use As Estrogenic Agents
  申请人：Mewshaw Eric Richard

  公开号：US20080033049A1

  公开（公告）日：2008-02-07

  This invention provides estrogen receptor modulators having the structure: wherein R 1 to R 6 and R 8 are as defined in the specification; or a pharmaceutically acceptable salt thereof.

  该发明提供了具有以下结构的雌激素受体调节剂：其中R1至R6和R8如规范中定义；或其药用盐。