7-[3-(2-Amino-1-fluoro-ethylidene)-piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid isopropyl ester hydrochloride | 1314138-54-9

• 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: 7-[3-(2-Amino-1-fluoro-ethylidene)-piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid isopropyl ester hydrochloride
• 英文别名: 7-[3-((E)-2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid isopropyl ester hydrochloride；propan-2-yl 7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;hydrochloride
• CAS: 1314138-54-9
• 化学式: C₂₄H₂₉F₂N₃O₄*ClH
• 分子量: 497.97
• InChiKey: NEZSGIOZGWKFKV-UGAWPWHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  85.1
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  7-[3-((E)-2-tert-butoxycarbonylamino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid isopropyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 7-[3-(2-Amino-1-fluoro-ethylidene)-piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid isopropyl ester hydrochloride
  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.