7-(2-((tert-butoxycarbonyl)amino)ethylamino)-6,8-difluoro-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxylic acid | 1273568-37-8

• 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: 7-(2-((tert-butoxycarbonyl)amino)ethylamino)-6,8-difluoro-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 6,8-Difluoro-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxo-1-propylquinoline-3-carboxylic acid；6,8-difluoro-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxo-1-propylquinoline-3-carboxylic acid
• CAS: 1273568-37-8
• 化学式: C₂₀H₂₅F₂N₃O₅
• 分子量: 425.432
• InChiKey: HQLPTZLLXVWIHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-(2-((tert-butoxycarbonyl)amino)ethylamino)-6,8-difluoro-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxylic acid 在 盐酸 、 4-二甲氨基吡啶 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 Methyl 6,8-difluoro-7-[2-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]ethylamino]-4-oxo-1-propylquinoline-3-carboxylate
  参考文献：
  名称：

  Synthesis of Fluoroquinolone-di- and tri-(N-methylpyrrole) Conjugates

  摘要：

  Some FLQs, such as lomefloxacin and fleroxacin, having two fluorine atoms are known to generate an arylcarbene under photoirradiation conditions leading to DNA damage. We synthesized some conjugates between FLQs and di- and tri-(N-methylpyrrole) that are known as a DNA minor groove binder.

  DOI：

  10.3987/com-10-12079
• 作为产物：
  描述：

  6,7,8-trifluoro-1,4-dihydro-4-oxo-1-n-propyl-quinoline-3-carboxylic acid 、 N-叔丁氧羰基-1,2-乙二胺 以 乙腈 为溶剂， 反应 4.0h， 以97%的产率得到7-(2-((tert-butoxycarbonyl)amino)ethylamino)-6,8-difluoro-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of Fluoroquinolone-di- and tri-(N-methylpyrrole) Conjugates

  摘要：

  Some FLQs, such as lomefloxacin and fleroxacin, having two fluorine atoms are known to generate an arylcarbene under photoirradiation conditions leading to DNA damage. We synthesized some conjugates between FLQs and di- and tri-(N-methylpyrrole) that are known as a DNA minor groove binder.

  DOI：

  10.3987/com-10-12079

文献信息

• Synthesis of Fluoroquinolone-di- and tri-(N-methylpyrrole) Conjugates
  作者：Ichiro Suzuki、Mayuko Takahashi、Kei Takeda

  DOI：10.3987/com-10-12079

  日期：——

  Some FLQs, such as lomefloxacin and fleroxacin, having two fluorine atoms are known to generate an arylcarbene under photoirradiation conditions leading to DNA damage. We synthesized some conjugates between FLQs and di- and tri-(N-methylpyrrole) that are known as a DNA minor groove binder.