4-Amino-2-(4-fluorophenyl)phenol | 732238-78-7

• 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-Amino-2-(4-fluorophenyl)phenol
• CAS: 732238-78-7
• 化学式: C₁₂H₁₀FNO
• 分子量: 203.216
• InChiKey: YYTMERHJDWESKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Amino-2-(4-fluorophenyl)phenol 以 甲醇 、 乙醇 、 水 为溶剂， 生成 N-[3-[(tert-butylamino)methyl]-5-(4-fluorophenyl)-4-hydroxyphenyl]acetamide
  参考文献：
  名称：

  Antimalarial drugs. 60. Synthesis, antimalarial activity, and quantitative structure-activity relationships of tebuquine and a series of related 5-[(7-chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl][1,1'-biphenyl]-2-ols and N.omega.-oxides

  摘要：

  A series of 5-[(7-chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl] [1,1'-biphenyl]-2-ols and N omega-oxides was prepared from the substituted 1-phenyl-2-propanones proceeding through the 5-nitro[1,1'-biphenyl]-2-ols, the corresponding amino, and acetamido derivatives to the N-[5-[(alkylamino)methyl]-6-hydroxy[1,1'-biphenyl]-3-yl]acetamides and final condensation with 4,7-dichloroquinoline or the N-oxide. In a quantitative structure-activity relationship study first run on 28 and later expanded to 40 substituted phenyl analogues and their N omega-oxides, increasing antimalarial potency vs. Plasmodium berghei in mice was found to be correlated with decreasing size (sigma MR) and electron donation (sigma sigma) of the phenyl ring substituents. A significant correlation with N omega-oxidation could not be demonstrated. Initial high activity against P. berghei infections in mice led to expanded studies that demonstrated in addition excellent activity against resistant strains of parasite, activity in primate models, and pharmacokinetic properties apparently allowing protection against infection for extended periods of time even after oral administration. Such properties encourage the clinical trial of a member of this class in man.

  DOI：

  10.1021/jm00156a009
• 作为产物：
  描述：

  4-氟苯基丙酮 在 镍 sodium hydroxide 、 氢气 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 20.0h， 生成 4-Amino-2-(4-fluorophenyl)phenol
  参考文献：
  名称：

  Antimalarial drugs. 60. Synthesis, antimalarial activity, and quantitative structure-activity relationships of tebuquine and a series of related 5-[(7-chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl][1,1'-biphenyl]-2-ols and N.omega.-oxides

  摘要：

  A series of 5-[(7-chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl] [1,1'-biphenyl]-2-ols and N omega-oxides was prepared from the substituted 1-phenyl-2-propanones proceeding through the 5-nitro[1,1'-biphenyl]-2-ols, the corresponding amino, and acetamido derivatives to the N-[5-[(alkylamino)methyl]-6-hydroxy[1,1'-biphenyl]-3-yl]acetamides and final condensation with 4,7-dichloroquinoline or the N-oxide. In a quantitative structure-activity relationship study first run on 28 and later expanded to 40 substituted phenyl analogues and their N omega-oxides, increasing antimalarial potency vs. Plasmodium berghei in mice was found to be correlated with decreasing size (sigma MR) and electron donation (sigma sigma) of the phenyl ring substituents. A significant correlation with N omega-oxidation could not be demonstrated. Initial high activity against P. berghei infections in mice led to expanded studies that demonstrated in addition excellent activity against resistant strains of parasite, activity in primate models, and pharmacokinetic properties apparently allowing protection against infection for extended periods of time even after oral administration. Such properties encourage the clinical trial of a member of this class in man.

  DOI：

  10.1021/jm00156a009

文献信息

• 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds
  申请人：——

  公开号：US20020166180A1

  公开（公告）日：2002-11-14

  The invention relates to an oxidative coloring agent for keratin fibers, in particular hair based on a developing agent-coupling agent combination, which contains as a developing agent at least one 2-hydroxy-5-amino-biphenyl derivative of general formula (I) in addition to novel 2-hydroxy-5-amino-biphenyl derivatives.

  该发明涉及一种氧化染色剂，用于角蛋白纤维，特别是基于发展剂-偶联剂组合的头发，其中所述发展剂至少包含一种通式（I）的2-羟基-5-氨基联苯衍生物，以及新型的2-羟基-5-氨基联苯衍生物。
• Novel compounds that are ERK inhibitors
  申请人：Deng Yongqi

  公开号：US20070232610A1

  公开（公告）日：2007-10-04

  Disclosed are the ERK inhibitors of formula 1.0: and the pharmaceutically acceptable salts and solvates thereof. Q is a piperidine or piperazine ring that can have a bridge or a fused ring. The piperidine ring can have a double bond in the ring. All other substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of formula 1.0.

  本发明涉及一种化学式1.0的ERK抑制剂，以及其药学上可接受的盐和溶剂。其中，Q为一个哌啶或哌嗪环，可以有一个桥或一个融合环。哌啶环中可以在环中有一个双键。所有其他取代基如定义所述。本发明还涉及使用化合物1.0治疗癌症的方法。
• 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATE SOWIE DIESE VERBINDUNGEN ENTHALTENDE OXIDATIONSHAARFÄRBEMITTEL
  申请人：Wella Aktiengesellschaft

  公开号：EP1208077A1

  公开（公告）日：2002-05-29
• PYRROLIDINE DERIVATIVES AS ERK INHIBITORS
  申请人：Schering Corporation

  公开号：EP1984331B1

  公开（公告）日：2010-10-20
• MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow Agrosciences LLC

  公开号：EP3283459B1

  公开（公告）日：2019-05-22