2-(4-氧代-6-苯基-1,4-二氢-哒嗪-3-基)-苯甲酸 | 73351-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(4-氧代-6-苯基-1,4-二氢-哒嗪-3-基)-苯甲酸
• 英文名称: 2-(4-oxo-6-phenyl-1,4-dihydro-pyridazin-3-yl)-benzoic acid
• 英文别名: 2-(4-oxo-6-phenyl-1H-pyridazin-3-yl)benzoic acid
• CAS: 73351-33-4
• 化学式: C₁₇H₁₂N₂O₃
• 分子量: 292.294
• InChiKey: TWQVTBMOGLRWEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  521.7±60.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.05
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(4-氧代-6-苯基-1,4-二氢-哒嗪-3-基)-苯甲酸 在 乙酸铵 、 乙酸酐 作用下， 以 甲苯 为溶剂， 反应 10.5h， 生成 3-phenyl-pyridazino [4,3-c]isoquinolin-6-(5H)-one
  参考文献：
  名称：

  Benzodiazepine receptor binding and anticonflict activity in a series of 3,6-disubstituted pyridazino[4,3-c]isoquinolines devoid of anticonvulsant properties

  摘要：

  A series of 3,6-disubstituted pyridazino[4,3-c]isoquinolines were synthesized and tested for their ability to inhibit the binding of [3H]diazepam to rat brain receptors in vitro. Compounds bearing a phenyl, 4-methoxyphenyl, or methyl group at position 3 and a dialkylamino group at position 6 showed the highest affinity in the binding assay and were subsequently evaluated for their anticonflict and anticonvulsant effects. All of these compounds (5a-1 and 5q) were active in the Vogel rat conflict procedure, but none prevented convulsions in mice induced either by metrazol or bicuculline. 3-Phenyl-6-pyrrolidinylpyridazino[4,3-c]isoquinoline (5d) with a Ki = 11.4 nM in the binding assay exhibited the best potency in the anticonflict assay (MED 5 mg/kg ip) and did not produce neuromuscular impairment at the highest dose tested (50 mg/kg ip).

  DOI：

  10.1021/jm00147a034
• 作为产物：
  描述：

  ethyl (3E)-3-[(3-oxo-1H-isoindol-2-yl)imino]-3-phenylpropanoate 、 sodium ethanolate 以70%的产率得到
  参考文献：
  名称：

  TOJA E.; OMODEI-SALE A.; NATHANSOHN G., TETRAHEDRON LETT., 1979, NO 31, 1921-1924

  摘要：

  DOI：

文献信息

• Conversion of 2-amino-2,3-dihydro-1H-isoindol-1-one into pyridazine a novel synthesis of 3-aryl-4(1H)-pyridazones
  作者：E. Toja、A. Omodei-Salè、G. Nathansohn

  DOI：10.1016/s0040-4039(01)86453-4

  日期：1979.1
• TOJA, E.;TARZIA, G.;BARONE, D.;LUZZANI, F.;GALLICO, L., J. MED. CHEM., 1981, 28, N 9, 1314-1319
  作者：TOJA, E.、TARZIA, G.、BARONE, D.、LUZZANI, F.、GALLICO, L.

  DOI：——

  日期：——