4-Methyl-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-7-thione | 77494-15-6

• 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-Methyl-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-7-thione
• 英文别名: 4-Methyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-thione
• CAS: 77494-15-6
• 化学式: C₁₃H₁₁N₃S
• 分子量: 241.316
• InChiKey: YAWNFUNWDDEASY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  53.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,7-dihydro-2-phenylpyrazolo[1,5-a]pyrimidin-7-one 在 tetraphosphorus decasulfide 、 potassium carbonate 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 4-Methyl-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-7-thione
  参考文献：
  名称：

  Synthesis and antischistosomal activity of certain pyrazolo[1,5-a]pyrimidines

  摘要：

  Several 7-hydroxypyrazolo[1,5-a]pyrimidines (1-21), 7-mercaptopyrazolo[1,5-a]pyrimidines (37-49), and 4-alkylpyrazolo[1,5-a]pyrimidin-7-ones (50-55) and the corresponding 4-alkylpyrazolo[1,5-a]pyrimidine-7-thiones (56-60) were synthesized and tested for antischistosomal activity against Schistosoma mansoni. Of the compounds examined, the greatest degree of activity in vitro was found with the 7-mercaptopyrazolo[1,5-a]pyrimidines. In particular, compounds 37 and 47 proved lethal at 100 micrograms/mL after an exposure of only 1 h. The 7-hydroxypyrazolo[1,5-a]-pyrimidines were not as active. None of the compounds exhibiting in vitro activity were active against S. mansoni in vivo.

  DOI：

  10.1021/jm00137a023

文献信息

• SENGA, KEITARO;NOVINSON, T.;WILSON, H. R.;ROBINS, R. K., J. MED. CHEM., 1981, 24, N 5, 610-613
  作者：SENGA, KEITARO、NOVINSON, T.、WILSON, H. R.、ROBINS, R. K.

  DOI：——

  日期：——