3,5,7-Trimethyl-1-(oxan-2-ylmethoxy)-6-phenylpyrrolo[3,4-d]pyridazin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3,5,7-Trimethyl-1-(oxan-2-ylmethoxy)-6-phenylpyrrolo[3,4-d]pyridazin-4-one
• 化学式: C₂₁H₂₅N₃O₃
• 分子量: 367.448
• InChiKey: XNMSDAOXPBMREX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  56.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(bromomethyl)tetrahydro-2H-pyran 、 3,5,7-trimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazine-1,4-dione 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以33%的产率得到3,5,7-Trimethyl-1-(oxan-2-ylmethoxy)-6-phenylpyrrolo[3,4-d]pyridazin-4-one
  参考文献：
  名称：

  New derivatives of pyrrolo[3,4-d]pyridazinone and their anticancer effects

  摘要：

  Eighteen new derivatives of pyrrolo[3,4-d]pyridazinone modified at the pyrrole and pyridazine rings were synthesized and 12 of them were evaluated in vitro through anticancer screenings. The structures of new compounds were confirmed by elemental analysis and spectral data (IR, 1H NMR). None of the eight compounds assayed blocked the cell cycle regulating CDK1/cyclin B kinase, whereas two of the six compounds tested were active in anticancer screening at the cell experiments at a concentration of > or = 10(-5) M/l.

  DOI：

  10.1016/j.farmac.2004.03.002

文献信息

• New derivatives of pyrrolo[3,4-d]pyridazinone and their anticancer effects
  作者：Wiesław Malinka、Aleksandra Redzicka、Olivier Lozach

  DOI：10.1016/j.farmac.2004.03.002

  日期：2004.6

  Eighteen new derivatives of pyrrolo[3,4-d]pyridazinone modified at the pyrrole and pyridazine rings were synthesized and 12 of them were evaluated in vitro through anticancer screenings. The structures of new compounds were confirmed by elemental analysis and spectral data (IR, 1H NMR). None of the eight compounds assayed blocked the cell cycle regulating CDK1/cyclin B kinase, whereas two of the six compounds tested were active in anticancer screening at the cell experiments at a concentration of > or = 10(-5) M/l.