Phenyl-pyrimidin-5-yl-(4-trifluoromethyl-phenyl)-methanol | 26766-33-6

• 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: Phenyl-pyrimidin-5-yl-(4-trifluoromethyl-phenyl)-methanol
• 英文别名: phenyl-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol
• CAS: 26766-33-6
• 化学式: C₁₈H₁₃F₃N₂O
• 分子量: 330.309
• InChiKey: RFFUZOIHRIEKIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-溴嘧啶 、 4-(三氟甲基)二苯甲酮 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以40%的产率得到Phenyl-pyrimidin-5-yl-(4-trifluoromethyl-phenyl)-methanol
  参考文献：
  名称：

  Aromatase inhibition by 5-substituted pyrimidines and dihydropyrimidines

  摘要：

  The inhibition of estrogen biosynthesis has been suggested to be an effective treatment of hormone-dependent diseases, particularly breast cancer. Several series of 5-substituted pyrimidine derivatives have been synthesized and tested for their ability to inhibit the enzyme aromatase (estrogen synthetase). Compounds were evaluated in an in vitro assay that measured the inhibition of rat ovarian microsomal aromatase activity. Greatest inhibitory activity was achieved in the cases of diarylpyrimidinemethanols and diarylpyrimidinyl methanes which were substituted in the 4- and 4'-positions with electron-withdrawing substituents, particularly Cl.

  DOI：

  10.1021/jm00391a016

文献信息

• TAYLOR, H. M.;JONES, C. D.;DAVENPORT, J. D.;HIRSCH, K. S.;KRESS, T. J.;WE+, J. MED. CHEM., 30,(1987) N 8, 1359-1365
  作者：TAYLOR, H. M.、JONES, C. D.、DAVENPORT, J. D.、HIRSCH, K. S.、KRESS, T. J.、WE+

  DOI：——

  日期：——
• Aromatase inhibition by 5-substituted pyrimidines and dihydropyrimidines
  作者：Harold M. Taylor、C. David Jones、James D. Davenport、Kenneth S. Hirsch、T. J. Kress、Dix Weaver

  DOI：10.1021/jm00391a016

  日期：1987.8

  The inhibition of estrogen biosynthesis has been suggested to be an effective treatment of hormone-dependent diseases, particularly breast cancer. Several series of 5-substituted pyrimidine derivatives have been synthesized and tested for their ability to inhibit the enzyme aromatase (estrogen synthetase). Compounds were evaluated in an in vitro assay that measured the inhibition of rat ovarian microsomal aromatase activity. Greatest inhibitory activity was achieved in the cases of diarylpyrimidinemethanols and diarylpyrimidinyl methanes which were substituted in the 4- and 4'-positions with electron-withdrawing substituents, particularly Cl.