1-amino-4-(4-methylphenyl)phthalazine | 155936-75-7

• 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-4-(4-methylphenyl)phthalazine
• 英文别名: 4-(4-Methylphenyl)phthalazin-1-amine
• CAS: 155936-75-7
• 化学式: C₁₅H₁₃N₃
• 分子量: 235.288
• InChiKey: WSYKGOQAXIARGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-amino-4-(4-methylphenyl)phthalazine 在 氢溴酸 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 4-[1-Amino-4-(4-methylphenyl)phthalazin-2-ium-2-yl]butanoic acid;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
• 作为产物：
  描述：

  1-(4-Methylphenyl)-4-phenoxyphthalazine 在 乙酸铵 作用下， 反应 0.5h， 以83%的产率得到1-amino-4-(4-methylphenyl)phthalazine
  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

• [EN] SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION<br/>[FR] INHIBITEURS À PETITES MOLÉCULES POUR LE TRAITEMENT ET LA PRÉVENTION DE L'INFECTION PAR LE VIRUS DE LA DENGUE
  申请人：SIGA TECHNOLOGIES INC

  公开号：WO2009149054A1

  公开（公告）日：2009-12-10

  Methods and pharmaceutical compositions for treating viral infections, by administering certain compounds in therapeutically effective amounts are disclosed. Methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by flavivirus is disclosed, i.e., including but not limited to, Dengue virus, West Nile virus, yellow fever virus, Japanese encephalitis virus, and tick-borne encephalitis virus.
• 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.