3-hydroxy-2'-trifluoromethyl-biphenyl-4-carboxylic acid | 1261603-03-5

• 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-hydroxy-2'-trifluoromethyl-biphenyl-4-carboxylic acid
• 英文别名: 2-Hydroxy-4-(2-trifluoromethylphenyl)benzoic acid；2-hydroxy-4-[2-(trifluoromethyl)phenyl]benzoic acid
• CAS: 1261603-03-5
• 化学式: C₁₄H₉F₃O₃
• 分子量: 282.219
• InChiKey: JEDIZUMODWTMET-UHFFFAOYSA-N

物化性质

• 沸点：
  418.8±45.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-hydroxy-2'-trifluoromethyl-biphenyl-4-carboxylic acid 、 4-叔丁基苯胺 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 6.0h， 生成 3-hydroxy-2'-trifluoromethyl-biphenyl-4-carboxylic acid (4-tert-butyl-phenyl)-amide
  参考文献：
  名称：

  [EN] SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS
  [FR] ANALOGUES D'ARYLAMIDE D'ACIDE BIPHENYL-4-CARBOXYLIQUE SUBSTITUES

  摘要：

  公开号：

  WO2004056774A3
• 作为产物：
  描述：

  2-(三氟甲基)苯硼酸 在 palladium diacetate sodium hydroxide 、 potassium phosphate 、 2-(二环己基膦基)联苯 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 24.0h， 生成 3-hydroxy-2'-trifluoromethyl-biphenyl-4-carboxylic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS
  [FR] ANALOGUES D'ARYLAMIDE D'ACIDE BIPHENYL-4-CARBOXYLIQUE SUBSTITUES

  摘要：

  公开号：

  WO2004056774A3

文献信息

• Substituted biphenyl-4-carboxylic acid arylamide analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20060100245A1

  公开（公告）日：2006-05-11

  Substituted biphenyl-4-carboxylic acid arylamide analogues capable of modulating receptor activity, are provided. Such ligands may be used to modulate receptor activity in vivo or in vitro, and are particularly useful in the treatment of pain and other conditions associated with receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了能够调节受体活性的取代联苯-4-羧酸芳香酰胺类似物。这样的配体可以用于体内或体外调节受体活性，并且在治疗与人类、家畜伴侣动物和家畜动物中的受体激活有关的疼痛和其他疾病方面特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的配体使用方法。
• SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS
  申请人：NEUROGEN CORPORATION

  公开号：EP1575918A2

  公开（公告）日：2005-09-21
• [EN] SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES<br/>[FR] ANALOGUES D'ARYLAMIDE D'ACIDE BIPHENYL-4-CARBOXYLIQUE SUBSTITUES
  申请人：NEUROGEN CORP

  公开号：WO2004056774A2

  公开（公告）日：2004-07-08

  Substituted biphenyl-4-carboxylic acid arylamide analogues of the formula (I) capable of modulating receptor activity, are provided. Such ligands may be used to modulate receptor activity in vivo or in vitro, and are particularly useful in the treatment of pain and other conditions associated with receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for receptor localization studies.
• [EN] SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS<br/>[FR] ANALOGUES D'ARYLAMIDE D'ACIDE BIPHENYL-4-CARBOXYLIQUE SUBSTITUES
  申请人：NEUROGEN CORP

  公开号：WO2004056774A3

  公开（公告）日：2004-11-04