1-(4-dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanone | 1035495-02-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 1-(4-dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanone
• 英文别名: 1-(4-{2-Thia-9-azatricyclo[9.4.0.0 inverted question mark,x]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethan-1-one；1-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanone
• CAS: 1035495-02-3
• 化学式: C₁₉H₁₉N₃OS
• 分子量: 337.445
• InChiKey: HXDQJFMZTKIQQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  11-(1-哌嗪基)二苯并[B,F][1,4]硫氮杂卓 、 乙酸酐 在 水 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 1-(4-dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanone
  参考文献：
  名称：

  WO2008/79838

  摘要：

  公开号：

文献信息

• FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME
  申请人：KemPharm, Inc.

  公开号：US20170247368A1

  公开（公告）日：2017-08-31

  The presently described technology provides a novel class of prodrugs of quetiapine that can be synthesized by chemically conjugating fatty acids to quetiapine. Pharmaceutical compositions and methods of synthesizing conjugates of the present technology are also provided. Methods of treating patients with the compositions of the present technology are also provided.

  目前所描述的技术提供了一种新型的奎硫平前药类，可以通过将脂肪酸与奎硫平进行化学共轭来合成。同时，还提供了制备本技术共轭物的药物组合物和方法。还提供了使用本技术组合物治疗患者的方法。
• COMPOUNDS AND USES THEREOF - 177
  申请人：Bernstein Peter

  公开号：US20100093699A1

  公开（公告）日：2010-04-15

  This invention relates to novel compounds having the structural Formula (I) below: and their pharmaceutically acceptable salts, compositions and methods of use thereof. These novel compounds provide a treatment or prophylaxis of at least one symptom or condition associated with schizophrenia and other psychotic disorders, dementia and other cognitive disorders, anxiety disorders, mood disorders, sleep disorders, disorders usually first diagnosed in infancy, childhood, or adolescence, and neurodegenerative disorders.
• Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same
  申请人：Mickle Travis

  公开号：US20110223207A1

  公开（公告）日：2011-09-15

  The presently described technology provides a novel class of prodrugs of quetiapine that can be synthesized by chemically conjugating fatty acids to quetiapine. Pharmaceutical compositions and methods of synthesizing conjugates of the present technology are also provided. Methods of treating patients with the compositions of the present technology are also provided.
• US8900604B2
  申请人：——

  公开号：US8900604B2

  公开（公告）日：2014-12-02
• US9511149B2
  申请人：——

  公开号：US9511149B2

  公开（公告）日：2016-12-06