4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-N-p-tolylpyrimidine-5-carboxamide | 1373441-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-N-p-tolylpyrimidine-5-carboxamide
• 英文别名: 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide；4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
• CAS: 1373441-71-4
• 化学式: C₂₈H₂₄ClN₅OS
• 分子量: 514.05
• InChiKey: XLIKRYWSHQCOKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)乙烷-1-酮苯基腙 在 对甲苯磺酸 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-N-p-tolylpyrimidine-5-carboxamide
  参考文献：
  名称：

  Synthesis and in vitro anticancer and antitubercular activity of diarylpyrazole ligated dihydropyrimidines possessing lipophilic carbamoyl group

  摘要：

  A series of dihydropyrimidine derivatives were synthesized by utilizing Biginelli reaction and evaluated for their in vitro anticancer activity against MCF-7 human breast cancer (HBC) cell line using sulforhodamine B (SRB) assay and antitubercular activity against Mycobacterium tuberculosis (MTB) H(37)Rv using Microplate Alamar Blue Assay (MABA). Compounds 13p, 13t were exhibited 70.6% and 63.7% of HBC cell growth inhibition at 10 mu M concentration. Interestingly compound 13p was also found to be the most potent in the series against MTB H(37)Rv with MIC value of 0.125 mu g/mL. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.02.101