N'-hydroxy-3-[(4-methoxybenzyl)oxy]benzenecarboximidamide | 790661-29-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N'-hydroxy-3-[(4-methoxybenzyl)oxy]benzenecarboximidamide
• 英文别名: N'-hydroxy-3-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
• CAS: 790661-29-9
• 化学式: C₁₅H₁₆N₂O₃
• 分子量: 272.304
• InChiKey: KNBIMENNZIYSKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  77.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-hydroxy-3-[(4-methoxybenzyl)oxy]benzenecarboximidamide 在 吡啶 、 caesium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 氯仿 为溶剂， 反应 7.0h， 生成 methyl 5-(benzoyloxy)-2-{3-[(4-methoxybenzyl)oxy]phenyl}-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate
  参考文献：
  名称：

  HCV NS5b RNA-Dependent RNA Polymerase Inhibitors:  From α,γ-Diketoacids to 4,5-Dihydroxypyrimidine- or 3-Methyl-5- hydroxypyrimidinonecarboxylic Acids. Design and Synthesis

  摘要：

  A new class of the HCV NS5b RNA-dependent RNA polymerase inhibitors, the dihyroxypyrimidinecarboxylic acid derivative, was designed from a diketoacid and meconic acid derivative discovered by screening. Mechanism of action and essential moieties required for activity were identified. The corresponding N-methylpyrimidinone was also prepared; both classes are novel, reversible, and selective inhibitors of the HCV NS5b polymerase with improved druglike characteristics.

  DOI：

  10.1021/jm0494669
• 作为产物：
  描述：

  3-(4-Methoxybenzyloxy)benzonitrile 在 氢氧化钾 、 盐酸羟胺 作用下， 以 甲醇 为溶剂， 生成 N'-hydroxy-3-[(4-methoxybenzyl)oxy]benzenecarboximidamide
  参考文献：
  名称：

  HCV NS5b RNA-Dependent RNA Polymerase Inhibitors:  From α,γ-Diketoacids to 4,5-Dihydroxypyrimidine- or 3-Methyl-5- hydroxypyrimidinonecarboxylic Acids. Design and Synthesis

  摘要：

  A new class of the HCV NS5b RNA-dependent RNA polymerase inhibitors, the dihyroxypyrimidinecarboxylic acid derivative, was designed from a diketoacid and meconic acid derivative discovered by screening. Mechanism of action and essential moieties required for activity were identified. The corresponding N-methylpyrimidinone was also prepared; both classes are novel, reversible, and selective inhibitors of the HCV NS5b polymerase with improved druglike characteristics.

  DOI：

  10.1021/jm0494669

文献信息

• HCV NS5b RNA-Dependent RNA Polymerase Inhibitors:  From α,γ-Diketoacids to 4,5-Dihydroxypyrimidine- or 3-Methyl-5- hydroxypyrimidinonecarboxylic Acids. Design and Synthesis
  作者：Vincenzo Summa、Alessia Petrocchi、Victor G. Matassa、Marina Taliani、Ralph Laufer、Raffaele De Francesco、Sergio Altamura、Paola Pace

  DOI：10.1021/jm0494669

  日期：2004.10.1

  A new class of the HCV NS5b RNA-dependent RNA polymerase inhibitors, the dihyroxypyrimidinecarboxylic acid derivative, was designed from a diketoacid and meconic acid derivative discovered by screening. Mechanism of action and essential moieties required for activity were identified. The corresponding N-methylpyrimidinone was also prepared; both classes are novel, reversible, and selective inhibitors of the HCV NS5b polymerase with improved druglike characteristics.