(4-trifluoromethylphenyl)(4-chlorophenyl)pyrimidin-5-yl methanol | 108394-93-0

• 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-trifluoromethylphenyl)(4-chlorophenyl)pyrimidin-5-yl methanol
• 英文别名: (4-Chloro-phenyl)-pyrimidin-5-yl-(4-trifluoromethyl-phenyl)-methanol；(4-chlorophenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol
• CAS: 108394-93-0
• 化学式: C₁₈H₁₂ClF₃N₂O
• 分子量: 364.754
• InChiKey: YNWYQQUQEXUBNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 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：

  4-三氟甲基苯甲酰氯 在 正丁基锂 、 dihydrogen dichloro-bis(di-tert-butylphosphinito-κP)palladium(2-) 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 甲苯 为溶剂， 生成 (4-trifluoromethylphenyl)(4-chlorophenyl)pyrimidin-5-yl methanol
  参考文献：
  名称：

  Analogues of Fenarimol Are Potent Inhibitors of Trypanosoma cruzi and Are Efficacious in a Murine Model of Chagas Disease

  摘要：

  We report the discovery of nontoxic fungicide fenarimol (1) as an inhibitor of Trypanosoma cruzi (T. cruzi), the causative agent of Chagas disease, and the results of structure-activity investigations leading to potent analogues with low nM IC(50)s in a T. cruzi whole cell in vitro assay. Lead compounds suppressed blood parasitemia to virtually undetectable levels after once daily oral dosing in mouse models of T. cruzi infection. Compounds are chemically tractable, allowing rapid optimization of target biological activity and drug characteristics. Chemical and biological studies undertaken in the development of the fenarimol series toward the goal of delivering a new drug candidate for Chagas disease are reported.

  DOI：

  10.1021/jm2015809

文献信息

• 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.
• 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：——