(2'S,5S)-9-fluoro-6,7-dihydro-8-(4-L-alaninyl-oxy-piperidin-1-yl)-5-methyl-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid methanesulfonic acid salt | 948895-94-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2'S,5S)-9-fluoro-6,7-dihydro-8-(4-L-alaninyl-oxy-piperidin-1-yl)-5-methyl-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid methanesulfonic acid salt
• 英文别名: Alalevonadifloxacin mesylate；(12S)-8-[4-[(2S)-2-aminopropanoyl]oxypiperidin-1-yl]-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid;methanesulfonic acid
• CAS: 948895-94-1
• 化学式: CH₄O₃S*C₂₂H₂₆FN₃O₅
• 分子量: 527.571
• InChiKey: QFROQFYGNZZJJU-FXMYHANSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  176
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (S)-(-)-9-fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[i,j]-quinolizine-2-carboxylic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 1.5h， 生成 (2'S,5S)-9-fluoro-6,7-dihydro-8-(4-L-alaninyl-oxy-piperidin-1-yl)-5-methyl-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid methanesulfonic acid salt
  参考文献：
  名称：

  甲磺酸丙氧氟沙星旋光异构体及潜在杂质的合成、结构表征

  摘要：

  一种新型抗甲氧西林耐药金黄色葡萄球菌 (MRSA) 抗...

  DOI：

  10.1080/00397911.2022.2163403

文献信息

• Prodrugs of benzoquinolizine-2-carboxylic acid
  申请人：Patel Vithalbhai Mahesh

  公开号：US20070219227A1

  公开（公告）日：2007-09-20

  The instant invention relates to novel prodrugs of optically pure benzoquinolizine-2-carboxylic acid and pharmaceutical compositions that include the prodrugs. In particular, the present invention relates to the sulfonic acid salts of L-alanine and L-valine prodrugs of S-(−)-9-fluoro-6,7-dihydro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid. The compounds and compositions of the invention can be used to treat bacterial Gram-positive, Gram-negative and anaerobic infections, especially infections caused by resistant Gram-positive organism and Gram-negative organism, mycobacterial infections and emerging nosocomial pathogen infections.

  本发明涉及光学纯苯并喹啉-2-羧酸的新型前药及包括这些前药的制药组合物。具体而言，本发明涉及S-（-）-9-氟-6,7-二氢-8-（4-羟基哌啶-1-基）-5-甲基-1-氧代-1H，5H-苯并[i，j]喹啉-2-羧酸的L-丙氨酸和L-缬氨酸前药的磺酸盐。本发明的化合物和组合物可用于治疗细菌革兰氏阳性、革兰氏阴性和厌氧感染，特别是由耐药革兰氏阳性菌和革兰氏阴性菌引起的感染，结核分枝杆菌感染和新兴医院感染病原体感染。
• 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。
• EFFLUX PUMP INHIBITORS
  申请人：PATEL Mahesh Vithalbhai

  公开号：US20130296228A1

  公开（公告）日：2013-11-07

  Novel compositions and methods of reducing microbial resistance to antimicrobial agents and treating infections are disclosed. In particular, compositions and methods of inhibiting efflux pump activity, treating infection and methods of enhancing antimicrobial activity of antimicrobial agents are provided.
• STABLE PHARMACEUTICAL COMPOSITIONS COMPRISING ANTIBACTERIAL AGENT
  申请人：WOCKHARDT LIMITED

  公开号：US20180000811A1

  公开（公告）日：2018-01-04

  Stable pharmaceutical compositions comprising a compound of Formula (I) or a stereoisomer or a pharmaceutically acceptable derivative thereof are disclosed. Formula (I)
• US7868173B2
  申请人：——

  公开号：US7868173B2

  公开（公告）日：2011-01-11