1-cyclopropyl-7-<4-(2-cyanoethyl)-3,5-dimethylpiperazin-1-yl>-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid | 150399-06-7

• 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-7-<4-(2-cyanoethyl)-3,5-dimethylpiperazin-1-yl>-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• CAS: 150399-06-7
• 化学式: C₂₂H₂₄F₂N₄O₃
• 分子量: 430.454
• InChiKey: QRNMFOHTWFRQSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.57
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-cyclopropyl-7-<4-(2-cyanoethyl)-3,5-dimethylpiperazin-1-yl>-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis of antimicrobial agents. 5. In vivo metabolism of 7-(4-hydroxypiperazin-1-yl)quinolones

  摘要：

  A series of novel pyridone carboxylic acids having a 4-hydroxypiperazin-1-yl, a 4-hydroxy-3-methylpiperazin-1-yl, and a 4-hydroxy-3,5-dimethylpiperazin-1-yl group was prepared, and their metabolism to corresponding piperazinyl derivatives after oral administration to mice and rats was studied. This reductive metabolism appeared to be more extensive in mice than in rats. Moreover, the introduction of a methyl group into the alpha-position of the 4-hydroxy group depressed the metabolism in both species.

  DOI：

  10.1021/jm00071a001
• 作为产物：
  描述：

  丙烯腈 、 在 sodium hydroxide 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 68.0h， 以50.9%的产率得到1-cyclopropyl-7-<4-(2-cyanoethyl)-3,5-dimethylpiperazin-1-yl>-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of antimicrobial agents. 5. In vivo metabolism of 7-(4-hydroxypiperazin-1-yl)quinolones

  摘要：

  A series of novel pyridone carboxylic acids having a 4-hydroxypiperazin-1-yl, a 4-hydroxy-3-methylpiperazin-1-yl, and a 4-hydroxy-3,5-dimethylpiperazin-1-yl group was prepared, and their metabolism to corresponding piperazinyl derivatives after oral administration to mice and rats was studied. This reductive metabolism appeared to be more extensive in mice than in rats. Moreover, the introduction of a methyl group into the alpha-position of the 4-hydroxy group depressed the metabolism in both species.

  DOI：

  10.1021/jm00071a001