7-(2-methyl-3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid | 1251754-64-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-(2-methyl-3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
• 英文别名: 7-(3-Amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• CAS: 1251754-64-9
• 化学式: C₂₁H₁₅F₃N₆O₃
• 分子量: 456.384
• InChiKey: SPVZGCDBSSBHBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1-Boc-3-氰基-4-吡咯烷酮 在 盐酸 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 乙腈 为溶剂， 反应 13.0h， 生成 7-(2-methyl-3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activities of 7-(3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)quinolone derivatives

  摘要：

  A series of novel 7-(3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)quinolone derivatives were designed, synthesized and evaluated for in vitro antibacterial activities. Compounds 6g, 7g and 7h with the potencies similar to those of gemifloxacin, moxifloxacin, gatifloxacin and levofloxacin against Gram-positive organisms, worth further investigation. (C) 2010 Yu Cheng Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.06.011

文献信息

• Synthesis and in vitro antibacterial activities of 7-(3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)quinolone derivatives
  作者：Xin Guo、Yi Liang Li、Yu Fei Liu、Hui Yuan Guo、Yu Cheng Wang

  DOI：10.1016/j.cclet.2010.06.011

  日期：2010.10

  A series of novel 7-(3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)quinolone derivatives were designed, synthesized and evaluated for in vitro antibacterial activities. Compounds 6g, 7g and 7h with the potencies similar to those of gemifloxacin, moxifloxacin, gatifloxacin and levofloxacin against Gram-positive organisms, worth further investigation. (C) 2010 Yu Cheng Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.