9-cyclopropyl-6,8-difluoro-7-(3-amino-3-methyl-1-azetidinyl)-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3.4-dione | 133224-75-6

• 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: 9-cyclopropyl-6,8-difluoro-7-(3-amino-3-methyl-1-azetidinyl)-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3.4-dione
• 英文别名: 9-Cyclopropyl-6,8-difluoro-7-(3-amino-3-methyl-1-azetidinyl)-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3,4-dione；7-(3-amino-3-methylazetidin-1-yl)-9-cyclopropyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
• CAS: 133224-75-6
• 化学式: C₁₇H₁₆F₂N₄O₂S
• 分子量: 378.402
• InChiKey: VONVCDFJKVENBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  9-cyclopropyl-6,8-difluoro-7-(3-amino-3-methyl-1-azetidinyl)-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3.4-dione 生成 9-cyclopropyl-6-fluoro-7-(3-amino-3-methyl-1-azetidinyl)-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3,4-dione methylsulfonate
  参考文献：
  名称：

  COROMINAS, JUAN PARES;PINOL, AUGUSTO COLOMBO;CONSTANSA, JORDI FRIGOLA

  摘要：

  DOI：
• 作为产物：
  描述：

  6,7-Difluoro-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b>quinoline-3,4-dione 生成 9-cyclopropyl-6,8-difluoro-7-(3-amino-3-methyl-1-azetidinyl)-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3.4-dione
  参考文献：
  名称：

  COROMINAS, JUAN PARES;PINOL, AUGUSTO COLOMBO;CONSTANSA, JORDI FRIGOLA

  摘要：

  DOI：

文献信息

• Substituted azetidinylisothiazolopyridone derivatives, their preparation
  申请人：Laboratorios del Dr. Esteve

  公开号：US05087621A1

  公开（公告）日：1992-02-11

  The present invention relates to substituted azetidinylisothiazolopyridone derivatives which correspond to the general formula I: ##STR1## or its tautomeric formula ##STR2## It also relates to a process for preparing them and to their application as a medicinal product.

  本发明涉及代替的氮杂环丙烷基异噻唑吡啶酮衍生物，其对应于一般式I：##STR1## 或其互变式##STR2## 本发明还涉及一种制备它们的方法，以及它们作为药物产品的应用。
• 7-Azetidinylquinolones as antibacterial agents. Synthesis and structure-activity relationships
  作者：Jordi Frigola、Juan Pares、Jordi Corbera、David Vano、Ramon Merce、Antoni Torrens、Josep Mas、Eduard Valenti

  DOI：10.1021/jm00059a002

  日期：1993.4

  A series of novel antibacterial quinolones and naphthyridones has been prepared which contain 7-azetidinyl substituents in place of the usual piperazine or aminopyrrolidine groups. These azetidinyl derivatives were evaluated for in vitro activity by determining minimum inhibitory concentrations against a variety of bacteria. In vivo efficacy in the mouse infection model and blood levels in the mouse were determined for several compounds. The influence on the structure-activity relationships of varying substituents in the azetidine ring and at position 8 (CH, CF, CCl, N) and N-1 (ethyl, fluoroethyl, cyclopropyl, tert-butyl, 4-fluorophenyl, and 2,4-difluorophenyl) was also studied. Compounds with outstandingly broad-spectrum activity, particularly against Gram-positive organisms, improved in vivo efficacy, and high blood levels were identified in this work. 7-Azetidinyl-8-chloroquinolones were considered as warranting further development.
• COROMINAS, JUAN PARES;PINOL, AUGUSTO COLOMBO;CONSTANSA, JORDI FRIGOLA
  作者：COROMINAS, JUAN PARES、PINOL, AUGUSTO COLOMBO、CONSTANSA, JORDI FRIGOLA

  DOI：——

  日期：——
• US5087621A
  申请人：——

  公开号：US5087621A

  公开（公告）日：1992-02-11