N'-(6-ethoxy-2-methyl-4-quinolyl)pyrazine-2-carbohydrazide | 1309855-84-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N'-(6-ethoxy-2-methyl-4-quinolyl)pyrazine-2-carbohydrazide
• 英文别名: N'-(6-ethoxy-2-methylquinolin-4-yl)pyrazine-2-carbohydrazide
• CAS: 1309855-84-2
• 化学式: C₁₇H₁₇N₅O₂
• 分子量: 323.354
• InChiKey: KRVZWOHCBUSHPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-甲酸吡嗪 、 6-乙氧基-4-肼基-2-甲基喹啉 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 N'-(6-ethoxy-2-methyl-4-quinolyl)pyrazine-2-carbohydrazide
  参考文献：
  名称：

  Discovery of potent nucleotide-mimicking competitive inhibitors of hepatitis C virus NS3 helicase

  摘要：

  Among the enzymes involved in the life cycle of HCV, the non-structural protein NS3, with its double function of protease and NTPase/helicase, is essential for the virus replication. Exploiting our previous knowledge in the development of nucleotide-mimicking NS3 helicase (NS3h) inhibitors endowed with key structural and electronic features necessary for an optimal ligand-enzyme interaction, we developed the tetrahydroacridinyl derivative 3a as the most potent NS3h competitive inhibitor reported to date (HCV NS3h K(i) = 20 nM). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.002

文献信息

• Discovery of potent nucleotide-mimicking competitive inhibitors of hepatitis C virus NS3 helicase
  作者：Sandra Gemma、Stefania Butini、Giuseppe Campiani、Margherita Brindisi、Samantha Zanoli、Maria Pia Romano、Pierangela Tripaldi、Luisa Savini、Isabella Fiorini、Giuseppe Borrelli、Ettore Novellino、Giovanni Maga

  DOI：10.1016/j.bmcl.2010.09.002

  日期：2011.5

  Among the enzymes involved in the life cycle of HCV, the non-structural protein NS3, with its double function of protease and NTPase/helicase, is essential for the virus replication. Exploiting our previous knowledge in the development of nucleotide-mimicking NS3 helicase (NS3h) inhibitors endowed with key structural and electronic features necessary for an optimal ligand-enzyme interaction, we developed the tetrahydroacridinyl derivative 3a as the most potent NS3h competitive inhibitor reported to date (HCV NS3h K(i) = 20 nM). (C) 2010 Elsevier Ltd. All rights reserved.