N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine,dihydrochloride | 118269-74-2

• 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: N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine,dihydrochloride
• 英文别名: N,N-Dimethyl-N'-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine; hydrochloride
• CAS: 118269-74-2
• 化学式: C₁₅H₂₀N₄*2ClH
• 分子量: 329.272
• InChiKey: SGACKDVZLOTNLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-氯-4-甲基-6-苯基哒嗪 、 N,N-二甲基乙二胺 生成 N',N'-dimethyl-N-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine,dihydrochloride
  参考文献：
  名称：

  3-Aminopyridazine derivatives with atypical antidepressant, serotonergic and dopaminergic activities

  摘要：

  Minaprine [3-[(beta-morpholinoethyl)amino]-4-methyl-6-phenylpyridazine dihydrochloride] is active in most animal models of depression and exhibits in vivo a dual dopaminomimetic and serotoninomimetic activity profile. In an attempt to dissociate these two effects and to characterize the responsible structural requirements, a series of 47 diversely substituted analogues of minaprine were synthesized and tested for their potential antidepressant, serotonergic, and dopaminergic activities. The structure-activity relationships show that dopaminergic and serotonergic activities can be dissociated. Serotonergic activity appears to be correlated mainly with the substituent in the 4-position of the pyridazine ring whereas the dopaminergic activity appears to be dependent on the presence, or in the formation, of a para-hydroxylated aryl ring in the 6-position of the pyridazine ring.

  DOI：

  10.1021/jm00123a004