7-chloro-3-(4-chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidine | 58347-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-chloro-3-(4-chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidine
• 英文别名: 7-Chloro-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
• CAS: 58347-50-5
• 化学式: C₁₃H₉Cl₂N₃
• 分子量: 278.141
• InChiKey: HAMZXOPBLYKXPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 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：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-chloro-3-(4-chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidine 在 硫脲 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以58%的产率得到3-(4-Chloro-phenyl)-5-methyl-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
• 作为产物：
  描述：

  对氯苯乙腈 在 sodium 、 一水合肼 、 溶剂黄146 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 7-chloro-3-(4-chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  Discovery and characterization of a novel 7-aminopyrazolo[1,5-a]pyrimidine analog as a potent hepatitis C virus inhibitor

  摘要：

  We describe a novel 7-aminopyrazolo[1,5-a]pyrimidine (7-APP) derivative as a potent hepatitis C virus (HCV) inhibitor. A series of 7-APPs was synthesized and evaluated for inhibitory activity against HCV in different cell culture systems. The synthesis and preliminary structure-activity relationship study of 7-APP are reported. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.123

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：——
• NOVINSON T.; BHOOSHAN B.; OKABE T.; REVANKAR G. R.; ROBINS R. K.; SENGA K+, J. MED. CHEM. <JMCM-AR>, 1976, 19, NO 4, 512-516
  作者：NOVINSON T.、 BHOOSHAN B.、 OKABE T.、 REVANKAR G. R.、 ROBINS R. K.、 SENGA K+

  DOI：——

  日期：——