6-methyl pyrazolo<3,4-d>pyridazin-7(6H)one | 69792-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-methyl pyrazolo<3,4-d>pyridazin-7(6H)one
• 英文别名: 6-methyl-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one；6-methyl-1H-pyrazolo[3,4-d]pyridazin-7-one
• CAS: 69792-72-9；219631-05-7
• 化学式: C₆H₆N₄O
• mdl: MFCD16619851
• 分子量: 150.14
• InChiKey: OZBRGXVUBRMPFG-UHFFFAOYSA-N

物化性质

• 沸点：
  416.1±37.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-methyl pyrazolo<3,4-d>pyridazin-7(6H)one 在 硫酸氢铵 、 三甲基氯硅烷 、 三氟甲磺酸 、 氨 、 六甲基二硅氮烷 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 24.0h， 生成 6-methyl-N2-β-D-ribofuranosyl pyrazolo<3,4-d>pyridazin-7(6H)one
  参考文献：
  名称：

  Synthesis and Anti-HSV-1 Activity of 6 Substituted Pyrazolo[3,4-d]Pyridazin-7-one Nucleosides

  摘要：

  a new series of 6-substituted N-1- and N-2 -beta-D-ribofuranosyl-pyrazolo[3,4-d]pyridazin-7(6H)-one derivatives (8a-g, 9b-d and 9f-g) has been prepared in the aim to explore the structure-activity relationships and improve the antiviral activity of a series of N-1-and N-2-beta-D-ribofuranosyl-pyrazolo[4,3-d] pyrimidin-7(6H)-one derivatives previously reported by us. The studied compounds were preliminary tested for their in vitro antiviral activity against HSV-1. Among them 8f and 9f were found 2 fold more active than those belonging to the parent series.

  DOI：

  10.1080/07328319808004307
• 作为产物：
  描述：

  甲基肼盐酸盐 、 乙基 4-甲酰基-1H-吡唑-3-羧酸 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 23.0h， 以66%的产率得到6-methyl pyrazolo<3,4-d>pyridazin-7(6H)one
  参考文献：
  名称：

  Synthesis and Anti-HSV-1 Activity of 6 Substituted Pyrazolo[3,4-d]Pyridazin-7-one Nucleosides

  摘要：

  a new series of 6-substituted N-1- and N-2 -beta-D-ribofuranosyl-pyrazolo[3,4-d]pyridazin-7(6H)-one derivatives (8a-g, 9b-d and 9f-g) has been prepared in the aim to explore the structure-activity relationships and improve the antiviral activity of a series of N-1-and N-2-beta-D-ribofuranosyl-pyrazolo[4,3-d] pyrimidin-7(6H)-one derivatives previously reported by us. The studied compounds were preliminary tested for their in vitro antiviral activity against HSV-1. Among them 8f and 9f were found 2 fold more active than those belonging to the parent series.

  DOI：

  10.1080/07328319808004307