ethyl N-acetyl-1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl)methylamino-4-oxoquinoline-3-carboxylate | 135442-06-7

• 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: ethyl N-acetyl-1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl)methylamino-4-oxoquinoline-3-carboxylate
• 英文别名: ethyl 7-[acetyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
• CAS: 135442-06-7
• 化学式: C₂₁H₂₂FN₃O₄S
• 分子量: 431.488
• InChiKey: PGDMHXDICXJEID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81.5
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ethyl N-acetyl-1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl)methylamino-4-oxoquinoline-3-carboxylate 在 sodium hydroxide 作用下， 反应 4.0h， 以61%的产率得到1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl)methylamino-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of 1-(4-thiazolylmethyl)- and 7-(4-thiazolylmethyl)amino-substituted quinolones

  摘要：

  A group of 6-fluoro-1,4-dihydro-4-oxo-7-piperazinyl-1-(4-thiazolylmethyl)quinoline-3-carboxylic acids and 1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl) methylamino-4-oxoquinoline-3-carboxylic acid were synthesized. All compounds were tested in vitro against a series of Gram-positive and Gram-negative bacteria. No important antibacterial activity was found among the compounds tested.

  DOI：

  10.1016/0223-5234(91)90066-v
• 作为产物：
  描述：

  4-(氯甲基)-2-甲基-1,3-噻唑 、 7-acetilamino-1-etil-6-fluoro-1,4-diidrochinolin-4-on-3-carbossilato di etile 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以54%的产率得到ethyl N-acetyl-1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl)methylamino-4-oxoquinoline-3-carboxylate
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of 1-(4-thiazolylmethyl)- and 7-(4-thiazolylmethyl)amino-substituted quinolones

  摘要：

  A group of 6-fluoro-1,4-dihydro-4-oxo-7-piperazinyl-1-(4-thiazolylmethyl)quinoline-3-carboxylic acids and 1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl) methylamino-4-oxoquinoline-3-carboxylic acid were synthesized. All compounds were tested in vitro against a series of Gram-positive and Gram-negative bacteria. No important antibacterial activity was found among the compounds tested.

  DOI：

  10.1016/0223-5234(91)90066-v