1-[6,7-dimethoxy-3-(4-pyridyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-yl]-2-phenoxy-1-ethanone | 1355615-95-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-[6,7-dimethoxy-3-(4-pyridyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-yl]-2-phenoxy-1-ethanone
• 英文别名: 1-(6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)-2-phenoxyethanone
• CAS: 1355615-95-0
• 化学式: C₂₅H₂₃N₃O₄
• 分子量: 429.475
• InChiKey: LGFHLTBXHXFHOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  73.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5,6-二甲氧基茚酮 在 溶剂黄146 、 sodium hydroxide 作用下， 以 甲醇 、 Petroleum ether 为溶剂， 反应 16.0h， 生成 1-[6,7-dimethoxy-3-(4-pyridyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-yl]-2-phenoxy-1-ethanone
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 6, 7-dimethoxy-3-(4-pyridyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-yl-4-substituted phenylmethanone/ethanone derivatives

  摘要：

  A series of 6,7-dimethoxy-3-(4-pyridyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-yl-4-substituted phenylmethanone/ethanone derivatives were synthesized and in vitro activity against mycobacterium tuberculosis (MTB) and INHR-MTB were carried out. Among the synthesized compounds, compound (4h) 6,7-dimethoxy-3-(4-pyridyl)-2,3,3a, 4-tetrahydroindeno[1,2-c] pyrazol-2-yl-4-pyridyl methanone was found to be the most active agent against MTB and INHR-MTB with a minimum inhibitory concentration of 0.22 mu M.

  DOI：

  10.3109/14756366.2011.581240

文献信息

• Synthesis and biological evaluation of novel 6, 7-dimethoxy-3-(4-pyridyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-yl-4-substituted phenylmethanone/ethanone derivatives
  作者：Mohamed Ashraf Ali、Rusli Ismail、Tan Soo Choon、Manogaran Elumalai、Suresh Kumar、Hasnah Osman、Jeyabalan Govidasamy、Rajesh Yadav、Garima Yadav、Ravinder Kour、Swati Vyas

  DOI：10.3109/14756366.2011.581240

  日期：2012.2.1

  A series of 6,7-dimethoxy-3-(4-pyridyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-yl-4-substituted phenylmethanone/ethanone derivatives were synthesized and in vitro activity against mycobacterium tuberculosis (MTB) and INHR-MTB were carried out. Among the synthesized compounds, compound (4h) 6,7-dimethoxy-3-(4-pyridyl)-2,3,3a, 4-tetrahydroindeno[1,2-c] pyrazol-2-yl-4-pyridyl methanone was found to be the most active agent against MTB and INHR-MTB with a minimum inhibitory concentration of 0.22 mu M.