2-[4-(2-Nitro-5-propan-2-ylphenyl)piperazin-1-yl]pyrazine | 1244760-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[4-(2-Nitro-5-propan-2-ylphenyl)piperazin-1-yl]pyrazine
• 英文别名: 2-[4-(2-nitro-5-propan-2-ylphenyl)piperazin-1-yl]pyrazine
• CAS: 1244760-71-1
• 化学式: C₁₇H₂₁N₅O₂
• 分子量: 327.386
• InChiKey: FZIAMUAGEONWDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  78.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[4-(2-Nitro-5-propan-2-ylphenyl)piperazin-1-yl]pyrazine 在 calcium chloride 、 锌 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 4-Propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)aniline
  参考文献：
  名称：

  Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase

  摘要：

  Pyridine carboxamide-based inhibitors of the hepatitis C virus (HCV) NS5B polymerase were diversified and optimized to a variety of topologically related scaffolds. In particular, the 2-methyl nicotinic acid scaffold was developed into inhibitors with improved biochemical (IC50-GT1b = 0.014 mu M) and cell-based HCV replicon potency (EC50-GT1b = 0.7 mu M). Biophysical and biochemical characterization identified this novel series of compounds as palm site binders to HCV polymerase.

  DOI：

  10.1021/ml100128h
• 作为产物：
  描述：

  2-bromo-4-isopropyl-1-nitrobenzene 、 1-（2-吡嗪基）哌啶 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 2-[4-(2-Nitro-5-propan-2-ylphenyl)piperazin-1-yl]pyrazine
  参考文献：
  名称：

  Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase

  摘要：

  Pyridine carboxamide-based inhibitors of the hepatitis C virus (HCV) NS5B polymerase were diversified and optimized to a variety of topologically related scaffolds. In particular, the 2-methyl nicotinic acid scaffold was developed into inhibitors with improved biochemical (IC50-GT1b = 0.014 mu M) and cell-based HCV replicon potency (EC50-GT1b = 0.7 mu M). Biophysical and biochemical characterization identified this novel series of compounds as palm site binders to HCV polymerase.

  DOI：

  10.1021/ml100128h

文献信息

• 1,4-SUBSTITUTED PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Cheng Cliff C.

  公开号：US20130164259A1

  公开（公告）日：2013-06-27

  The present invention relates to 1,4-Substituted Piperazine Derivatives, compositions comprising one or more 1,4-Substituted Piperazine Derivatives, and methods of using the 1,4-Substituted Piperazine Derivatives for treating or preventing a viral infection or a virus-related disorder in a patient.
• Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase
  作者：Cliff C. Cheng、Xiaohua Huang、Gerald W. Shipps、Yu-Sen Wang、Daniel F. Wyss、Kyle A. Soucy、Chuan-kui Jiang、Sony Agrawal、Eric Ferrari、Zhiqing He、H.-C. Huang

  DOI：10.1021/ml100128h

  日期：2010.12.9

  Pyridine carboxamide-based inhibitors of the hepatitis C virus (HCV) NS5B polymerase were diversified and optimized to a variety of topologically related scaffolds. In particular, the 2-methyl nicotinic acid scaffold was developed into inhibitors with improved biochemical (IC50-GT1b = 0.014 mu M) and cell-based HCV replicon potency (EC50-GT1b = 0.7 mu M). Biophysical and biochemical characterization identified this novel series of compounds as palm site binders to HCV polymerase.