3-phenyl-1-(p-tolyl)-1H-pyrazolo<3,4-b>quinoxaline | 109002-28-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-phenyl-1-(p-tolyl)-1H-pyrazolo<3,4-b>quinoxaline
• 英文别名: 3-phenyl-1-(4-tolyl)pyrazolo[3,4-b]quinoxaline；3-phenyl-1-(p-tolyl)-1H-pyrazolo[3,4-b]quinoxaline；1-(4-methylphenyl)-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline；1-(4-methylphenyl)-3-phenylpyrazolo[4,3-b]quinoxaline
• CAS: 109002-28-0
• 化学式: C₂₂H₁₆N₄
• mdl: MFCD01572121
• 分子量: 336.396
• InChiKey: YQQCZJLUFSZDCJ-UHFFFAOYSA-N

物化性质

• 熔点：
  224 °C(Solv: hexane (110-54-3))
• 沸点：
  503.5±50.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲基苯肼盐酸盐 在 氢氧化钾 作用下， 以 1,4-二氧六环 、 溶剂黄146 为溶剂， 反应 6.0h， 生成 3-phenyl-1-(p-tolyl)-1H-pyrazolo<3,4-b>quinoxaline
  参考文献：
  名称：

  摘要：

  3-Benzoyl-1,2-dihydroquinoxalin-2-one reacts with hydrazine and thiosemicarbazide to give the corresponding hydrazone and thiosemicarbazone. The reaction with arylhydrazines yields 3-(alpha-arylazoben-zylidene)-1,2,3,4-tetrahydroquinoxalin-2-ones which are tautomeric to the respective arylhydrazones. On heating in boiling acetic acid, the products of both types undergo intramolecular cyclocondensation with formation of 3-phenylpyrazolo[3,4-b]quinoxalines (3-phenylflavazoles). 3-Benzoyl-1,2-dihydroquinoxalin2-one thiosemicarbazone gives rise to flavazole structure only in the presence of methyl 3-chloro-2-oxo-3-phenylpropionate as a trap of thiocarbamoyl moiety. The cyclization of 3-(alpha-hydrazonobenzyl)-1,2-dihydroquinoxalin-2-one is accompanied by formation of quinoxalyl ketone azine.

  DOI：

  10.1023/a:1023415301274

文献信息

• Pillai, P. Madhavan; Ramabhadran, P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 901 - 904
  作者：Pillai, P. Madhavan、Ramabhadran, P.

  DOI：——

  日期：——
• PILLAI P. MADHAVAN; RAMABHADRAN P., INDIAN J. CHEM., 25,(1986) N 9, 901-904
  作者：PILLAI P. MADHAVAN、 RAMABHADRAN P.

  DOI：——

  日期：——
• PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS
  申请人：GLYCOREGIMMUNE, INC.

  公开号：US20160158258A1

  公开（公告）日：2016-06-09

  In accordance with some embodiments herein, methods and compositions for prevention and treatment of inflammatory conditions are provided. In some embodiments, compositions comprising NKT-2 activators, for example miltefosine are provided. In some embodiments, the compositions further comprise sulfatide and/or a RAR agonist. In some embodiments, the compositions comprise activators of Type II NKT cells, and/or inhibitors of Type I NKT cells.
• [EN] PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS<br/>[FR] PRÉVENTION ET TRAITEMENT DE PATHOLOGIES INFLAMMATOIRES
  申请人：GLYCOREGIMMUNE INC

  公开号：WO2016094226A1

  公开（公告）日：2016-06-16

  In accordance with some embodiments herein, methods and compositions for prevention and treatment of inflammatory conditions are provided. In some embodiments, compositions comprising NKT-2 activators, for example miltefosine are provided. In some embodiments, the compositions further comprise sulfatide and/or a RAR agonist. In some embodiments, the compositions comprise activators of Type II NKT cells, and/or inhibitors of Type I NKT cells.