7-Chloro-5-ethyl-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine | 1415678-51-1

• 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-5-ethyl-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
• 英文别名: 7-chloro-5-ethyl-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
• CAS: 1415678-51-1
• 化学式: C₁₆H₁₆ClN₃
• 分子量: 285.776
• InChiKey: PRQNSXSTLYDLLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 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-5-ethyl-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine 、 N,N-二甲基乙二胺 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[5-ethyl-2-methyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethyl-ethane-1,2-diamine
  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
• 作为产物：
  描述：

  对甲基苯乙腈 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-5-ethyl-2-methyl-3-(4-methylphenyl)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

• Discovery and characterization of a novel 7-aminopyrazolo[1,5-a]pyrimidine analog as a potent hepatitis C virus inhibitor
  作者：Jong Yeon Hwang、Marc Peter Windisch、Suyeon Jo、Keumhyun Kim、Sunju Kong、Hyoung Cheul Kim、Soohyun Kim、Heeyoung Kim、Myung Eun Lee、Youngmi Kim、Jihyun Choi、Dong-Sik Park、Eunjung Park、Jeongjin Kwon、Jiyoun Nam、Sujin Ahn、Jonathan Cechetto、Junwon Kim、Michel Liuzzi、Zaesung No、Jinhwa Lee

  DOI：10.1016/j.bmcl.2012.10.123

  日期：2012.12

  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.