6-methoxy-1-methyl-4-oxo-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid | 1134061-68-9

• 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-methoxy-1-methyl-4-oxo-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
• CAS: 1134061-68-9
• 化学式: C₂₃H₂₂F₃N₃O₄
• 分子量: 461.441
• InChiKey: PXSOYQZHWCNIHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  75.01
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  ethyl 6-methoxy-1-methyl-4-oxo-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 水 为溶剂， 反应 0.25h， 以53%的产率得到6-methoxy-1-methyl-4-oxo-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
  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