4-[N-(4-hydroxyphenylmethyl)-N-(1H-imidazol-1-yl)amino]benzonitrile

• 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-[N-(4-hydroxyphenylmethyl)-N-(1H-imidazol-1-yl)amino]benzonitrile
• 英文别名: 4-[(4-hydroxyphenyl)methyl-imidazol-1-ylamino]benzonitrile
• 化学式: C₁₇H₁₄N₄O
• 分子量: 290.324
• InChiKey: KPFRHIVUAMJZCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  65.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(1H-imidazol-1-ylamino)benzonitrile 、 4-(bromomethyl)phenol 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以41%的产率得到4-[N-(4-hydroxyphenylmethyl)-N-(1H-imidazol-1-yl)amino]benzonitrile
  参考文献：
  名称：

  1-N-phenyl-amino- 1H-imidazole derivatives and pharmaceutical compositions containing them

  摘要：

  该发明涉及式(I)的化合物：其中R1、R2、R3、R4、R5、R6、m和n如规范中定义的那样，这些化合物是有效的芳香化酶和/或类固醇磺酸酯酶和/或碳酸酐酶抑制剂，通常涉及激素依赖性和非激素依赖性癌症和内分泌紊乱领域。该发明还涉及含有这些化合物的药物组合物。

  公开号：

  EP1544195A1

文献信息

• 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them
  申请人：Lafay Jean

  公开号：US20070112009A1

  公开（公告）日：2007-05-17

  The invention relates to the compounds of formula (I): in which R 1 , R 2 , R 3 , R 4 , Q and Z are as defined in the specification. The invention also relates to the pharmaceutical compositions containing these compounds.

  本发明涉及公式（I）的化合物：其中R1，R2，R3，R4，Q和Z如规范中所定义。本发明还涉及含有这些化合物的制药组合物。
• 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：LABORATOIRE THERAMEX

  公开号：EP1694650A1

  公开（公告）日：2006-08-30
• US8476455B2
  申请人：——

  公开号：US8476455B2

  公开（公告）日：2013-07-02
• [EN] 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES DE 1-N-PHENYL-AMINO-1H-IMIDAZOLE ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：THERAMEX

  公开号：WO2005058842A1

  公开（公告）日：2005-06-30

  The invention relates to the compounds of formula (I), in which R1, R2, R3, R4, Q and Z are as defined in the specification. The invention also relates to the pharmaceutical compositions containing these compounds. The invention generally relates to the field of hormone- and non hormone-dependent cancer and endocrine disorders.
• 1-N-phenyl-amino- 1H-imidazole derivatives and pharmaceutical compositions containing them
  申请人：LABORATOIRE THERAMEX

  公开号：EP1544195A1

  公开（公告）日：2005-06-22

  The invention relates to the compounds of formula (I): In which R1, R2, R3, R4, R5, R6, m and n are as defined in the specification, which are potent aromatase and/or steroid sulfatase and/or carbonic anhydrase inhibitors and generally relate to the field of hormone- and non hormone- dependent cancer and endocrine disorders. The invention also relates to the pharmaceutical compositions containing these compounds.

  该发明涉及式(I)的化合物：其中R1、R2、R3、R4、R5、R6、m和n如规范中定义的那样，这些化合物是有效的芳香化酶和/或类固醇磺酸酯酶和/或碳酸酐酶抑制剂，通常涉及激素依赖性和非激素依赖性癌症和内分泌紊乱领域。该发明还涉及含有这些化合物的药物组合物。