1-cyclopropyl-6,8-difluoro-7-[7-methyl-3,7-diazabicyclo[3.3.0 ]oct-1(5)-en-3-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid | 135836-56-5

• 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: 1-cyclopropyl-6,8-difluoro-7-[7-methyl-3,7-diazabicyclo[3.3.0 ]oct-1(5)-en-3-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• 英文别名: 1-cyclopropyl-6,8-difluoro-7-<7-methyl-3,7-diazabicyclo<3.3.0>oct-1(5)-en-3-yl>-1,4-dihydro-4-oxoquinoline-3-carboxylic acid；1-cyclopropyl-6,8-difluoro-7-[7-methyl-3,7-diazabicyclo[3.3.0]oct-1(5)-en-3-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid；1-cyclopropyl-6,8-difluoro-7-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid
• CAS: 135836-56-5
• 化学式: C₂₀H₁₉F₂N₃O₃
• 分子量: 387.386
• InChiKey: XEOJRRQNMZDMEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-cyclopropyl-6,8-difluoro-7-[7-methyl-3,7-diazabicyclo[3.3.0 ]oct-1(5)-en-3-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid 在 盐酸 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 以78%的产率得到1-cyclopropyl-6,8-difluoro-7-<7-methyl-3,7-diazabicyclo<3.3.0>oct-1(5)-en-3-yl>-1,4-dihydro-4-oxoquinoline-3-carboxylic acid hydrochloride
  参考文献：
  名称：

  Quinolone compounds and a process for their preparation

  摘要：

  通式喹诺酮化合物的药物组合物对抗细菌感染具有活性，包含这种化合物，制造喹诺酮化合物和组合物的过程以及利用喹诺酮化合物制造用于治疗细菌感染的药物组合物。

  公开号：

  EP0424850A1
• 作为产物：
  描述：

  1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole dihydrobromide 在 甲酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 10.0h， 生成 1-cyclopropyl-6,8-difluoro-7-[7-methyl-3,7-diazabicyclo[3.3.0 ]oct-1(5)-en-3-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of 1,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole Dihydrobromide and 1,2,3,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]pyrrolo[3,4-c]pyrrole

  摘要：

  Synthesis of the pyrrolo[3,4-c] pyrrole derivatives (8) and (9) is reported. Nucleophilic aromatic substitution of the 7-fluoride of 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (1) by 8 under basic conditions followed by N-methylation, gives the quinolone antibacterial agent (11) (KR 10755, HK 3140).

  DOI：

  10.3987/com-95-7061

文献信息

• Quinolone compounds and a process for their preparation
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：EP0424850A1

  公开（公告）日：1991-05-02

  Quinolone compounds of the general formula pharmaceutical compositions active against bacterial infections containing such compounds, processes for the manufacture of the quinolone compounds and the compositions and the use of the quinolone compounds for the manufacture of pharmaceutical compositions for the treatment of bacterial infections.

  通式喹诺酮化合物的药物组合物对抗细菌感染具有活性，包含这种化合物，制造喹诺酮化合物和组合物的过程以及利用喹诺酮化合物制造用于治疗细菌感染的药物组合物。
• US5091384A
  申请人：——

  公开号：US5091384A

  公开（公告）日：1992-02-25
• Anti-bacterial quinolone- and naphthyridone-carboxylic acid compounds
  申请人：Korea Research Institute of Chemical Technology

  公开号：US05091384A1

  公开（公告）日：1992-02-25

  Quinolone compounds of the general formula ##STR1## pharmaceutical compositions active against bacterial infections containing such compounds, processes for the manufacture of the quinolone compounds and the compositions and the use of the quinolone compounds for the manufacture of pharmaceutical compositions for the treatment of bacterial infections.

  通用公式为##STR1##的喹诺酮化合物，用于抗击细菌感染的药物组合物，包含这些化合物，制造喹诺酮化合物和组合物的工艺，以及利用喹诺酮化合物制造用于治疗细菌感染的药物组合物。
• Synthesis of 1,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole Dihydrobromide and 1,2,3,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]pyrrolo[3,4-c]pyrrole
  作者：Heiner Jendralla、Gerd Fischer

  DOI：10.3987/com-95-7061

  日期：——

  Synthesis of the pyrrolo[3,4-c] pyrrole derivatives (8) and (9) is reported. Nucleophilic aromatic substitution of the 7-fluoride of 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (1) by 8 under basic conditions followed by N-methylation, gives the quinolone antibacterial agent (11) (KR 10755, HK 3140).