8-fluoro-3-methyl-6-oxo-9-[(7S,8aS)-7-(thiazol-2-ylamino)-hexahydro-pyrrolo[1,2-a]pyrazin-2(1H)-yl]-2,3-dihydro-6H-1-oxa-3,3a-diaza-phenalene-5-carboxylic acid | 1204602-55-0

• 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: 8-fluoro-3-methyl-6-oxo-9-[(7S,8aS)-7-(thiazol-2-ylamino)-hexahydro-pyrrolo[1,2-a]pyrazin-2(1H)-yl]-2,3-dihydro-6H-1-oxa-3,3a-diaza-phenalene-5-carboxylic acid
• 英文别名: 6-[(7S,8aS)-7-(1,3-thiazol-2-ylamino)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• CAS: 1204602-55-0
• 化学式: C₂₂H₂₃FN₆O₄S
• 分子量: 486.527
• InChiKey: KFECTRRPJZVZDK-STQMWFEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  N-[(7S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]-1,3-thiazol-2-amine 、 麻保沙星EP杂质B 在 吡啶 、 三乙烯二胺 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以26%的产率得到8-fluoro-3-methyl-6-oxo-9-[(7S,8aS)-7-(thiazol-2-ylamino)-hexahydro-pyrrolo[1,2-a]pyrazin-2(1H)-yl]-2,3-dihydro-6H-1-oxa-3,3a-diaza-phenalene-5-carboxylic acid
  参考文献：
  名称：

  NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS

  摘要：

  本发明涉及以下式（I）的化合物：其中R1、R2、R3、R′3、R4、R′4、R5、R6和R7如申请中所述，以对映体或混合物的形式存在，以及它们与酸和碱的盐，它们的制备以及它们作为抗菌剂在人类和兽医医学中的应用。

  公开号：

  US20100009980A1

文献信息

• 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS
  申请人：VETOQUINOL S.A.

  公开号：EP2310395A1

  公开（公告）日：2011-04-20
• US8071590B2
  申请人：——

  公开号：US8071590B2

  公开（公告）日：2011-12-06
• [EN] 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS<br/>[FR] DÉRIVÉS ?-CARBOXY-OXADIAZINO-QUINOLONES SUBSTITUÉES EN POSITION 9, LEUR PRÉPARATION ET LEUR APPLICATION EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：VETOQUINOL SA

  公开号：WO2010004394A1

  公开（公告）日：2010-01-14

  A subject of the invention is the compounds of formula (I) wherein R1, R2, R3, R'3, R4, R'4, R5, R6 and R7 are as described in the application, in the form of enantiomers or mixtures, as well as their salts with acids and bases, their preparation and their application as anti-bacterials, in both human and veterinary medicine.
• NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS
  申请人：Ropp Sandrine

  公开号：US20100009980A1

  公开（公告）日：2010-01-14

  A subject of the invention is the compounds of formula (I): wherein R 1 , R 2 , R 3 , R′ 3 , R 4 , R′ 4 , R 5 , R 6 and R 7 are as described in the application, in the form of enantiomers or mixtures, as well as their salts with acids and bases, their preparation and their application as anti-bacterials, in both human and veterinary medicine.

  本发明涉及以下式（I）的化合物：其中R1、R2、R3、R′3、R4、R′4、R5、R6和R7如申请中所述，以对映体或混合物的形式存在，以及它们与酸和碱的盐，它们的制备以及它们作为抗菌剂在人类和兽医医学中的应用。