2-[(12S)-7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carbonyl]oxyacetic acid

• 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: 2-[(12S)-7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carbonyl]oxyacetic acid
• 化学式: C₂₁H₂₃FN₂O₆
• 分子量: 418.4
• InChiKey: SINVAKRQCPHZAL-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment
  申请人：Patel Vithalbhai Mahesh

  公开号：US20080044466A1

  公开（公告）日：2008-02-21

  The present invention relates to optically pure S-(−)-benzoquinolizine carboxylic acids, their derivatives, salts, pseudopolymorphs, polymorphs and hydrates thereof, substantially free of their R-(+)-isomers, to processes for preparation of the optically pure S-(−)-benzoquinolizine carboxylic acids, their derivatives, salts, pseudopolymorphs, polymorphs and hydrates thereof substantially free of their R-(+)-isomers, and to pharmaceutical compositions comprising the S(−)-benzoquinolizine carboxylic acids, their derivatives, salts, pseudopolymorphs, polymorphs and hydrates thereof.

  本发明涉及光学纯的S-(−)-苯并喹啉羧酸、其衍生物、盐、伪多晶形、多晶形和水合物，基本上不含它们的R-(+)-异构体，以及制备光学纯的S-(−)-苯并喹啉羧酸、其衍生物、盐、伪多晶形、多晶形和水合物的过程，基本上不含它们的R-(+)-异构体，并且涉及包含S-(−)-苯并喹啉羧酸、其衍生物、盐、伪多晶形、多晶形和水合物的制药组合物。
• (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS
  申请人：Wockhardt Limited

  公开号：EP1175217B8

  公开（公告）日：2009-03-18
• US7247642B2
  申请人：——

  公开号：US7247642B2

  公开（公告）日：2007-07-24
• US8507519B2
  申请人：——

  公开号：US8507519B2

  公开（公告）日：2013-08-13
• [EN] ANTIBACTERIAL OPTICALLY PURE BENZOQUINOLIZINE CARBOXYLIC ACIDS, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] ACIDES CARBOXYLIQUES DE BENZOQUINOLIZINE ANTIBACTERIENS OPTIQUEMENT PURS, PROCEDES, COMPOSITIONS ET PROCEDES DE TRAITEMENT
  申请人：PATEL M V

  公开号：WO2000068229A2

  公开（公告）日：2000-11-16

  The present invention relates to S-(-)-optically pure benzoquinolizine carboxylic acid of formula I, and their pharmaceutically acceptable salts, derivatives, pseudopolymorphs, and hydrates, substantially free of their R-(+)-isomers, to processes for their preparation and to pharmaceutical compositions comprising an active compound of the invention. The compounds have excellent antibacterial activity. The compounds and compositions can be used for the treatment of local and systemic bacterial infections, diseases and disorders caused by antibiotic-sensitive and antibiotic-resistant microbial strains, without the concomitant liability of adverse effects associated with the racemic mixture of the active compound of the invention.