非那沙星 | 209342-41-6

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 喹诺酮类药
• 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
• 中文名称: 非那沙星
• 英文名称: finafloxacin hydrochloride
• 英文别名: BAY35-3377；8-Cyano-1-cyclopropyl-6-fluoro-7-((1S,6S)-2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Hydrochloride；7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
• CAS: 209342-41-6
• 化学式: C₂₀H₁₉FN₄O₄*ClH
• 分子量: 434.855
• InChiKey: CQMSQUOHWYYEKM-MOGJOVFKSA-N

物化性质

• 熔点：
  >210°C (dec.)
• 溶解度：
  碱性溶液（微溶），DMSO（微溶，超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 乙醚 、 乙醇 为溶剂， 以85%的产率得到非那沙星
  参考文献：
  名称：

  A novel approach to Finafloxacin hydrochloride (BAY35-3377)

  摘要：

  Finafloxacin hydrochloride, an important clinical compound was synthesized by a novel synthetic approach. An active intermediate ethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate 19 was prepared by a new route. The chiral (S,S')-N-Boc 10 was derived from protected pyrrolidine and the absolute stereochemistry was established by X-ray analysis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.051

文献信息

• Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic
  申请人：Bayer Aktiengesellschaft

  公开号：US06133260A1

  公开（公告）日：2000-10-17

  The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives which are substituted in the 7-position by a 2-oxa-5,8-diazabicyclo[4.3.0]-non-8-yl) radical, and their pharmaceutically utilizable hydrates and/or salts for the therapy of Helicobacter pylori infections and the gastroduodenal disorders associated therewith.

  该发明涉及使用在7位被2-氧杂-5,8-二氮杂双环[4.3.0]-壬-8-基基团取代的喹诺酮和萘啶酮羧酸衍生物，以及它们的药用水合物和/或盐来治疗幽门螺杆菌感染及相关的胃十二指肠疾病。
• USE OF 7-(2-OXA-5,8-DIAZABICYLCO[4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELIOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES
  申请人：Bayer Aktiengesellschaft

  公开号：US06432948B1

  公开（公告）日：2002-08-13

  The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives, which are substituted in the 7-position by a 2-oxa-5,8-diazabicyclo[4.3.0]-non-8-yl) radical, and their pharmaceutically utilizable hydrates and/or salts for the therapy of Helicobacter pylori infections and the gastroduodenal disorders associated therewith.

  本发明涉及使用在7位上被2-氧杂-5,8-二氮杂双环[4.3.0]壬-8-基基团取代的喹诺酮和萘啶酮羧酸衍生物及其药用水合物和/或盐，用于治疗幽门螺杆菌感染和与之相关的胃十二指肠疾病。
• US6133260A
  申请人：——

  公开号：US6133260A

  公开（公告）日：2000-10-17
• US6432948B1
  申请人：——

  公开号：US6432948B1

  公开（公告）日：2002-08-13