(4S,4aS,5aR,12aS)-4-(dimethylamino)-7-fluoro-3,10,12,12a-tetrahydroxy-9-(3-methylureido)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | 1207284-26-1

• 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: (4S,4aS,5aR,12aS)-4-(dimethylamino)-7-fluoro-3,10,12,12a-tetrahydroxy-9-(3-methylureido)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
• CAS: 1207284-26-1
• 化学式: C₂₃H₂₅FN₄O₈
• 分子量: 504.472
• InChiKey: HCYKNTKMQBPGGY-BKQXXSFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  36.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  202.52
• 氢给体数：
  7.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  (4S,4aS,5aR,12aS)-9-amino-4-(dimethylamino)-7-fluoro-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide 、 异氰酸甲酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以31.7%的产率得到(4S,4aS,5aR,12aS)-4-(dimethylamino)-7-fluoro-3,10,12,12a-tetrahydroxy-9-(3-methylureido)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-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：Zhou Jingye

  公开号：US20100105671A1

  公开（公告）日：2010-04-29

  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：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.
• US8501716B2
  申请人：——

  公开号：US8501716B2

  公开（公告）日：2013-08-06
• US8796245B2
  申请人：——

  公开号：US8796245B2

  公开（公告）日：2014-08-05