6-hydroxy-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride | 1134061-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-hydroxy-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
• 英文别名: 6-Hydroxy-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid；6-hydroxy-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
• CAS: 1134061-70-3
• 化学式: C₂₀H₂₀N₄O₄
• 分子量: 380.403
• InChiKey: WXVFHATVNRFYGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(2-吡啶基)哌嗪 、 7-fluoro-6-hydroxy-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 以 N-甲基吡咯烷酮 为溶剂， 反应 15.0h， 以44%的产率得到6-hydroxy-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
  参考文献：
  名称：

  Studies on anti-HIV quinolones: New insights on the C-6 position

  摘要：

  The 6-desfluoroquinolones which have been developed by our group represent a promising class of compounds for the treatment of HIV infection since they act on transcriptional regulation, a crucial step in the replication cycle that has not been clinically exploited, yet. Focussing attention on the N-1 and C-6 positions, a novel series of quinolones has been synthesized. New SAR insights have been obtained, in particular, the hydroxyl group emerged as a suitable C-6 substituent when coupled with the appropriate arylpiperazine at the neighboring C-7 position. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.056

文献信息

• Studies on anti-HIV quinolones: New insights on the C-6 position
  作者：Serena Massari、Dirk Daelemans、Giuseppe Manfroni、Stefano Sabatini、Oriana Tabarrini、Christophe Pannecouque、Violetta Cecchetti

  DOI：10.1016/j.bmc.2008.11.056

  日期：2009.1

  The 6-desfluoroquinolones which have been developed by our group represent a promising class of compounds for the treatment of HIV infection since they act on transcriptional regulation, a crucial step in the replication cycle that has not been clinically exploited, yet. Focussing attention on the N-1 and C-6 positions, a novel series of quinolones has been synthesized. New SAR insights have been obtained, in particular, the hydroxyl group emerged as a suitable C-6 substituent when coupled with the appropriate arylpiperazine at the neighboring C-7 position. (C) 2008 Elsevier Ltd. All rights reserved.