1-amino-3-(meta-carboxymethylbenzyl)-4-(4-methylphenyl)phthalazinium bromide

• 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: 1-amino-3-(meta-carboxymethylbenzyl)-4-(4-methylphenyl)phthalazinium bromide
• 英文别名: Methyl 3-[[4-amino-1-(4-methylphenyl)phthalazin-2-ium-2-yl]methyl]benzoate;bromide
• 化学式: Br*C₂₄H₂₂N₃O₂
• 分子量: 464.362
• InChiKey: BJQZIEBTSCZHNV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-Methylphenyl)-4-phenoxyphthalazine 在 乙酸铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 1-amino-3-(meta-carboxymethylbenzyl)-4-(4-methylphenyl)phthalazinium bromide
  参考文献：
  名称：

  Synthesis and structure-activity relationships of 1-aminophthalazinium salts as GABAA receptor antagonists

  摘要：

  The synthesis and in vitro GABA(A) activity as GABA(A) antagonists of some 1-aminophthalazinium salts and imidazophthalazines are reported. Structure-activity relationships and a molecular, modelling study allowed us to define the features which determine receptor affinity within this class of compounds.

  DOI：

  10.1016/0223-5234(94)90205-4

文献信息

• Synthesis and structure-activity relationships of 1-aminophthalazinium salts as GABAA receptor antagonists
  作者：V Colotta、L Cecchi、D Catarzi、G Filacchioni、A Galli、F Mori

  DOI：10.1016/0223-5234(94)90205-4

  日期：1994.1

  The synthesis and in vitro GABA(A) activity as GABA(A) antagonists of some 1-aminophthalazinium salts and imidazophthalazines are reported. Structure-activity relationships and a molecular, modelling study allowed us to define the features which determine receptor affinity within this class of compounds.