2,5,5-trimethyl-6,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline | 1032094-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2,5,5-trimethyl-6,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline
• CAS: 1032094-67-9
• 化学式: C₁₄H₁₈N₂
• 分子量: 214.31
• InChiKey: VUZXSBAKSGCRPE-UHFFFAOYSA-N

物化性质

• 沸点：
  321.5±52.0 °C(predicted)
• 密度：
  1.12±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(2-hydroxyphenyl)but-3-en-2-one 、 正丁醇 在 一水合肼 作用下， 反应 8.0h， 以56%的产率得到2,5,5-trimethyl-6,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline
  参考文献：
  名称：

  Synthesis, structure and antibacterial activity of novel 1-(5-substituted-3-substituted-4,5-dihydropyrazol-1-yl)ethanone oxime ester derivatives

  摘要：

  A series of novel 1-(5-substituted-3-substituted-4,5-dihydropyrazol-1-yl) ethanone oxime ester derivatives are synthesized. The results show that compounds 14 and 26c can strongly inhibit Staphylococcus aureus DNA gyrase and Escherichia coli DNA gyrase (with IC50 of 0.25 and 0.125 mu g/mL against S. aureus DNA gyrase, 0.125 and 0.25 mu g/mL against E. coli DNA gyrase). On the basis of the biological results, structure-activity relationships are also discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.01.035

文献信息

• Synthesis, structure and antibacterial activity of novel 1-(5-substituted-3-substituted-4,5-dihydropyrazol-1-yl)ethanone oxime ester derivatives
  作者：Xin-Hua Liu、Pin Cui、Bao-An Song、Pinaki S. Bhadury、Hai-Liang Zhu、Shi-Fan Wang

  DOI：10.1016/j.bmc.2008.01.035

  日期：2008.4.1

  A series of novel 1-(5-substituted-3-substituted-4,5-dihydropyrazol-1-yl) ethanone oxime ester derivatives are synthesized. The results show that compounds 14 and 26c can strongly inhibit Staphylococcus aureus DNA gyrase and Escherichia coli DNA gyrase (with IC50 of 0.25 and 0.125 mu g/mL against S. aureus DNA gyrase, 0.125 and 0.25 mu g/mL against E. coli DNA gyrase). On the basis of the biological results, structure-activity relationships are also discussed. (C) 2008 Elsevier Ltd. All rights reserved.