1-cyclopropyl-7-{3-[(E)-2-(diethoxyphosphorylamino)-1-fluoroethylidene]piperidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1314138-91-4

• 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-{3-[(E)-2-(diethoxyphosphorylamino)-1-fluoroethylidene]piperidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 1-cyclopropyl-7-{3-[2-(diethoxy-phosphorylamino)-1-fluoro-ethylidene]-piperidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid；1-cyclopropyl-7-[(3E)-3-[2-(diethoxyphosphorylamino)-1-fluoroethylidene]piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
• CAS: 1314138-91-4
• 化学式: C₂₅H₃₂F₂N₃O₇P
• 分子量: 555.516
• InChiKey: JXXRYYSIFILRQO-HMMYKYKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1-cyclopropyl-7-{3-[(E)-2-(diethoxyphosphorylamino)-1-fluoroethylidene]piperidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 1.0h， 生成 1-Cyclopropyl-7-{3-[2-(diethoxy-phosphorylamino)-1-fluoro-ethylidene]-piperidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid sodium salt
  参考文献：
  名称：

  PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID

  摘要：

  本发明涉及(E)-7-(3-(2-氨基-1-氟乙烯基)哌啶-1-基)-1-环丙基-6-氟-8-甲氧基-4-氧代-1,4-二氢喹啉-3-羧酸的前药、含有它们的制药组合物以及所述前药和制药组合物作为抗微生物药物，特别是对抗耐药微生物的用途。

  公开号：

  US20110172193A1
• 作为产物：
  描述：

  1-Cyclopropyl-7-[3-(2-{[(2S)-1-((2S)-2,6-diamino-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-1-fluoro-ethylidene)-piperidin-1-yl]-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid dihydrochloride 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 1-cyclopropyl-7-{3-[(E)-2-(diethoxyphosphorylamino)-1-fluoroethylidene]piperidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID

  摘要：

  本发明涉及(E)-7-(3-(2-氨基-1-氟乙烯基)哌啶-1-基)-1-环丙基-6-氟-8-甲氧基-4-氧代-1,4-二氢喹啉-3-羧酸的前药、含有它们的制药组合物以及所述前药和制药组合物作为抗微生物药物，特别是对抗耐药微生物的用途。

  公开号：

  US20110172193A1

文献信息

• PRO-DRUGS OF (E) -7- (3- (2-AMINO-1-FLUOROETHYLIDENE) PIPERIDIN-1-YL) -1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2523948A1

  公开（公告）日：2012-11-21
• [EN] PRO-DRUGS OF (E) -7- (3- (2-AMINO-1-FLUOROETHYLIDENE) PIPERIDIN-1-YL) -1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID<br/>[FR] PROMÉDICAMENTS DE L'ACIDE (E) -7- (3- (2-AMINO-1-FLUOROÉTHYLIDÈNE) PIPÉRIDIN-1-YLE) -1-CYCLOPROPYL-6-FLUORO-8-MÉTHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3- CARBOXYLIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2011084922A1

  公开（公告）日：2011-07-14

  The present invention is directed to pro-drugs of (E)-7-(3-(2-amino-l- fluoroethylidene)piperidin- 1 -yl)- 1 -cyclopropyl-6-fluoro-8-methoxy-4-oxo- 1,4- dihydroquinoline-3-carboxylic acid, pharmaceutical compositions containing them and the use of said pro-drugs and pharmaceutical compositions as antimicrobial agents against pathogenic microorganisms, particularly against resistant microbes.
• PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
  申请人：MACIELAG Mark

  公开号：US20110172193A1

  公开（公告）日：2011-07-14

  The present invention is directed to pro-drugs of (E)-7-(3-(2-amino-1-fluoroethylidene)piperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, pharmaceutical compositions containing them and the use of said pro-drugs and pharmaceutical compositions as antimicrobial agents against pathogenic microorganisms, particularly against resistant microbes.

  本发明涉及(E)-7-(3-(2-氨基-1-氟乙烯基)哌啶-1-基)-1-环丙基-6-氟-8-甲氧基-4-氧代-1,4-二氢喹啉-3-羧酸的前药、含有它们的制药组合物以及所述前药和制药组合物作为抗微生物药物，特别是对抗耐药微生物的用途。