ethyl 8-chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxo-1,4-dihydrobenzo[f] [1,7]naphthyridine-2-carboxylate | 318684-26-3

• 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: ethyl 8-chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxo-1,4-dihydrobenzo[f] [1,7]naphthyridine-2-carboxylate
• 英文别名: Ethyl 8-chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxo-1,4-dihydrobenzo[f][1,7]naphthyridine-2-carboxylate；ethyl 8-chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxobenzo[f][1,7]naphthyridine-2-carboxylate
• CAS: 318684-26-3
• 化学式: C₂₇H₂₅ClF₂N₄O₃
• 分子量: 526.97
• InChiKey: DCXKMMRBCBEHEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  ethyl 8-chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxo-1,4-dihydrobenzo[f] [1,7]naphthyridine-2-carboxylate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 11.0h， 以69%的产率得到8-Chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxobenzo[f][1,7]naphthyridine-2-carboxylic acid
  参考文献：
  名称：

  Benzo[f]naphtyridones: a new family of topical antibacterial agents active on multi-resistant Gram-positive pathogens

  摘要：

  The synthesis and antibacterial activity of benzo[f][1,7]naphtyridone derivatives are reported. These compounds are potent antibacterial agents with a Gram-positive spectrum of activity. They are active against multi-resistant cocci, especially Staphylococcus aureus strains. Their physico-chemical and biological properties make them particularly suitable for topical antibacterial use. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00057-x
• 作为产物：
  描述：

  3-氯-2,4-二氟苯胺 在 镍 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 二苯醚 、 乙醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， -75.0~240.0 ℃ 、101.33 kPa 条件下， 反应 51.5h， 生成 ethyl 8-chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxo-1,4-dihydrobenzo[f] [1,7]naphthyridine-2-carboxylate
  参考文献：
  名称：

  Benzo[f]naphtyridones: a new family of topical antibacterial agents active on multi-resistant Gram-positive pathogens

  摘要：

  The synthesis and antibacterial activity of benzo[f][1,7]naphtyridone derivatives are reported. These compounds are potent antibacterial agents with a Gram-positive spectrum of activity. They are active against multi-resistant cocci, especially Staphylococcus aureus strains. Their physico-chemical and biological properties make them particularly suitable for topical antibacterial use. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00057-x

文献信息

• Benzo[f]naphthyridine derivatives, their preparation and compositions containing them
  申请人：——

  公开号：US20020137741A1

  公开（公告）日：2002-09-26

  Benzo[f]naphthyridine derivatives of formula (I): 1 benzo[f]naphthyridine derivatives and benzo[f]naphthyridine esters of formula (IVa): 2 aminoquinoline derivatives of formula (X): 3 processes for preparing such compounds; and compositions comprising them.

  苯并［ｆ］萘啉衍生物的化学式（I）：1苯并［ｆ］萘啉衍生物和苯并［ｆ］萘啉酯的化学式（IVa）；2氨基喹啉衍生物的化学式（X）；3制备这些化合物的方法；以及包含它们的组合物。
• Benzo[f]naphthyridine derivatives, their preparation and compositions containing them
  申请人：Aventis Pharma S.A.

  公开号：US06566362B2

  公开（公告）日：2003-05-20

  Benzo[f]naphthyridine derivatives of formula (I): benzo[f]naphthyridine derivatives and benzo[f]naphthyridine esters of formula (IVa): aminoquinoline derivatives of formula (X): processes for preparing such compounds; and compositions comprising them.

  本文介绍了公式（I）的苯并[f]萘啉衍生物，公式（IVa）的苯并[f]萘啉酯衍生物和公式（X）的氨基喹啉衍生物，以及制备这些化合物的过程和包含它们的组合物。
• US6566362B2
  申请人：——

  公开号：US6566362B2

  公开（公告）日：2003-05-20
• Benzo[f]naphtyridones: a new family of topical antibacterial agents active on multi-resistant Gram-positive pathogens
  作者：Michel Tabart、Guy Picaut、Marc Lavergne、Sylvie Wentzler、Jean-Luc Malleron、Sylvie Dutka-Malen、Nadine Berthaud

  DOI：10.1016/s0960-894x(03)00057-x

  日期：2003.4

  The synthesis and antibacterial activity of benzo[f][1,7]naphtyridone derivatives are reported. These compounds are potent antibacterial agents with a Gram-positive spectrum of activity. They are active against multi-resistant cocci, especially Staphylococcus aureus strains. Their physico-chemical and biological properties make them particularly suitable for topical antibacterial use. (C) 2003 Elsevier Science Ltd. All rights reserved.