1,7-dihydro-3,5,8-trimethylbenzo<1,2-c:5,4-c'>dipyrazole | 115705-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1,7-dihydro-3,5,8-trimethylbenzo<1,2-c:5,4-c'>dipyrazole
• 英文别名: 1,7-dihydro-3,5,8-trimethylbenzo[1,2-c:5,4-c']dipyrazole；3,5,8-Trimethyl-1,6-dihydropyrazolo[4,3-f]indazole
• CAS: 115705-37-8
• 化学式: C₁₁H₁₂N₄
• 分子量: 200.243
• InChiKey: AIWFKMLZLPPKGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,7-dihydro-3,5,8-trimethylbenzo<1,2-c:5,4-c'>dipyrazole 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 112.0h， 以55%的产率得到1,7-dihydro-1,3,5,7,8-pentamethylbenzo<1,2-c:5,4-c'>dipyrazole
  参考文献：
  名称：

  Benzo[1,2-c:5,4-c']dipyrazoles: non-xanthine adenosine antagonists

  摘要：

  3,5-Dimethylbenzo[1,2-c:5,4-c']dipyrazoles, optionally substituted in the 1-, 7-, and 8-positions, were synthesized from resorcinols. These compounds display affinity for adenosine A1 (rat brain) and A2 (human platelet) receptors. In addition, these compounds reverse contractions of guinea pig tracheal cylindrical segments induced by potassium chloride, histamine, acetylcholine, and 5-hydroxytryptamine, as well as reverse bronchospasm induced by aerosolized histamine in the conscious guinea pig.

  DOI：

  10.1021/jm00118a032
• 作为产物：
  描述：

  2-methyl-1,3-phenylene diacetate 在 三氯化铝 、 一水合肼 作用下， 以 乙二醇甲醚 、 硝基苯 为溶剂， 反应 87.0h， 生成 1,7-dihydro-3,5,8-trimethylbenzo<1,2-c:5,4-c'>dipyrazole
  参考文献：
  名称：

  Benzo[1,2-c:5,4-c']dipyrazoles: non-xanthine adenosine antagonists

  摘要：

  3,5-Dimethylbenzo[1,2-c:5,4-c']dipyrazoles, optionally substituted in the 1-, 7-, and 8-positions, were synthesized from resorcinols. These compounds display affinity for adenosine A1 (rat brain) and A2 (human platelet) receptors. In addition, these compounds reverse contractions of guinea pig tracheal cylindrical segments induced by potassium chloride, histamine, acetylcholine, and 5-hydroxytryptamine, as well as reverse bronchospasm induced by aerosolized histamine in the conscious guinea pig.

  DOI：

  10.1021/jm00118a032

文献信息

• PEET, NORTON P.;DICKERSON, GEORGE A.;ABDALLAH, ABDULMINIUM H.;DALY, JOHN +, J. MED. CHEM., 31,(1988) N 10, C. 2034-2039
  作者：PEET, NORTON P.、DICKERSON, GEORGE A.、ABDALLAH, ABDULMINIUM H.、DALY, JOHN +

  DOI：——

  日期：——
• Benzo[1,2-c:5,4-c']dipyrazoles: non-xanthine adenosine antagonists
  作者：Norton P. Peet、George A. Dickerson、Abdulminium H. Abdallah、John W. Daly、Dieter Ukena

  DOI：10.1021/jm00118a032

  日期：1988.10

  3,5-Dimethylbenzo[1,2-c:5,4-c']dipyrazoles, optionally substituted in the 1-, 7-, and 8-positions, were synthesized from resorcinols. These compounds display affinity for adenosine A1 (rat brain) and A2 (human platelet) receptors. In addition, these compounds reverse contractions of guinea pig tracheal cylindrical segments induced by potassium chloride, histamine, acetylcholine, and 5-hydroxytryptamine, as well as reverse bronchospasm induced by aerosolized histamine in the conscious guinea pig.