4-Propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)aniline | 1244760-73-3

• 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: 4-Propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)aniline
• CAS: 1244760-73-3
• 化学式: C₁₇H₂₃N₅
• 分子量: 297.403
• InChiKey: BXMKEVQDRYAVFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 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：
  58.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-四氢呋喃甲酸 、 4-Propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)aniline 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]tetrahydrofuran-3-carboxamide
  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-[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

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.
• [EN] 1,4-SUBSTITUTED PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE PIPÉRAZINE 1,4-SUBSTITUÉS ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：SCHERING CORP

  公开号：WO2011087738A2

  公开（公告）日：2011-07-21

  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.