7,10-dichloro-2,3-dimethyl-1,4,6,11-tetrhydropyridazino<1,2-b>pthtalazine-6,11-dione | 54535-36-3

• 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: 7,10-dichloro-2,3-dimethyl-1,4,6,11-tetrhydropyridazino<1,2-b>pthtalazine-6,11-dione
• 英文别名: 7,10-dichloro-2,3-dimethyl-1,4-dihydro-pyridazino[1,2-b]phthalazine-6,11-dione；7,10-Dichloro-2,3-dimethyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione
• CAS: 54535-36-3
• 化学式: C₁₄H₁₂Cl₂N₂O₂
• 分子量: 311.167
• InChiKey: OBYKFMLNGWUIAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-1,3-二氨基丙烷 、 7,10-dichloro-2,3-dimethyl-1,4,6,11-tetrhydropyridazino<1,2-b>pthtalazine-6,11-dione 反应 2.0h， 以70%的产率得到10-chloro-7<(3-N,N-dimethylamino)propylamino>-2,3-dimethyl-1,4,6,11-tetrhydropyridazino<1,2-b>pthtalazine-6,11-dione
  参考文献：
  名称：

  Synthesis of Alkylamino Derivatives of 1,4,6,11-Tetrahydropyridazino(1,2-b)phthalazine-6,11-dione.

  摘要：

  The synthesis of 7-[(3-N, N-dimethylamino)propylamino]-1, 4, 6, 11-tetrahydropyridazino[1, 2-b]phthalazine-6, 11-dione derivatives is reported. The expected monoalkylamino substituted derivative (4a) was obtained from the 7-chloro-substituted compound (3a), whereas the 7, 10-dichloro-substituted compound (3b) gave a mixture of the monoalkylamino derivative (4b) and the dialkylaminophthalimide (4c). The cytotoxic activity of 4a-c against HeLa cells was assayed. Compounds 4a and 4b showed a higher cytotoxicity than the starting adducts (3a and 3b).

  DOI：

  10.1248/cpb.40.2905