(S)-N-((5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)-1-methylpyrrolidine-2-carboxamide | 1207284-17-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 四环素类
• 英文名称: (S)-N-((5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)-1-methylpyrrolidine-2-carboxamide
• CAS: 1207284-17-0
• 化学式: C₂₇H₃₁FN₄O₈
• 分子量: 558.564
• InChiKey: IXMIZHVJXGKPJI-HMFHYXQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.29
• 重原子数：
  40.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  193.73
• 氢给体数：
  6.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 (S)-N-((5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)pyrrolidine-2-carboxamide 在 三乙酰氧基硼氢化钠 、 三乙胺 、 盐酸 、 水 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (S)-N-((5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)-1-methylpyrrolidine-2-carboxamide
  参考文献：
  名称：

  [EN] C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS
  [FR] COMPOSÉS DE TÉTRACYCLINE C7-FLUOROSUBSTITUÉE

  摘要：

  本发明涉及一种由结构式（A）表示的化合物，或其药学上可接受的盐。结构式（A）的变量在此处定义。还描述了包括结构式（A）化合物的药物组合物及其治疗用途。

  公开号：

  WO2010017470A1

文献信息

• C7-fluoro substituted tetracycline compounds
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：EP2682387A2

  公开（公告）日：2014-01-08

  The present invention is directed to a compound falling under Structural Formula (A): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (A) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (A) and its therapeutic use.

  本发明涉及一种属于结构式（A）的化合物： 或其药学上可接受的盐。结构式（A）的变量在此定义。还描述了一种包含结构式（A）化合物的药物组合物及其治疗用途。
• Combinations comprising dibromopropamidine or diminazene and a tetracycline anti-bacterial agent
  申请人：UNION therapeutics A/S

  公开号：US11213533B2

  公开（公告）日：2022-01-04

  This invention relates to combination products comprising an amidine selected from dibromopropamidine and diminazene or a pharmaceutically acceptable salt or solvate thereof; and a tetracycline anti-bacterial agent. The combination products are suitable for use in the treatment of bacterial infections or diseases.

  本发明涉及由选自二溴丙脒和地米那嗪的脒或其药学上可接受的盐或溶液，以及四环素类抗菌剂组成的组合产品。该组合产品适用于治疗细菌感染或疾病。
• C7-Fluoro Substituted Tetracycline Compounds
  申请人：Zhou Jingye

  公开号：US20120302527A1

  公开（公告）日：2012-11-29

  The present invention is directed to a compound represented by Structural Formula (A): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (A) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (A) and its therapeutic use.
• C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：US20150274643A1

  公开（公告）日：2015-10-01

  The present invention is directed to a compound represented by Structural Formula (A): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (A) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (A) and its therapeutic use.
• COMBINATIONS COMPRISING DIBROMOPROPAMIDINE OR DIMINAZENE AND A TETRACYCLINE ANTI-BACTERIAL AGENT
  申请人：UNION therapeutics A/S

  公开号：US20190201422A1

  公开（公告）日：2019-07-04

  This invention relates to combination products comprising an amidine selected from dibromopropamidine and diminazene or a pharmaceutically acceptable salt or solvate thereof; and a tetracycline anti-bacterial agent. The combination products are suitable for use in the treatment of bacterial infections or diseases.