1-(((2,2-dimethyloctanoyl)oxy)methyl)-1-methyl-4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-ium iodide | 1313807-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1-(((2,2-dimethyloctanoyl)oxy)methyl)-1-methyl-4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-ium iodide
• 英文别名: [1-methyl-4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-ium-1-yl]methyl 2,2-dimethyloctanoate;iodide
• CAS: 1313807-51-0
• 化学式: C₂₈H₄₁N₄O₂S*I
• 分子量: 624.63
• InChiKey: BRJPOGHZKILQBM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(((2,2-dimethyltetradecanoyl)oxy)methyl)-1-methyl-4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-ium iodide 、 、 1-(((2,2-dimethyloctanoyl)oxy)methyl)-1-methyl-4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-ium iodide 生成 奥氮平
  参考文献：
  名称：

  Quaternary Ammonium Salt Prodrugs

  摘要：

  本发明提供了一种持续释放三级胺含有的母药的方法，包括向患者施用本发明的前药化合物的有效量，其中在向患者施用时，母药从前药中的释放是持续释放的。适用于本发明方法的前药化合物是由醛基连接的前药基团衍生的，这些前药基团可以减少前药化合物在参考pH下的溶解度与母药相比。这些衍生物的物理、化学和溶解度特性可以通过选择阴离子X-来进一步调节。在一种实施方式中，本发明提供了式I的前药化合物：其中R1-R5在发明的书面描述中被定义。本发明的前药化合物可用于治疗任何需要使用三级胺含有的母药或三级亚胺含有的母药进行治疗的情况。

  公开号：

  US20110178068A1

文献信息

• Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders
  申请人：Remenar Julius F.

  公开号：US20110166128A1

  公开（公告）日：2011-07-07

  The present invention provides prodrug compounds of diaryldiazepine drug compounds.

  本发明提供了二苯并二氮杂苯类药物化合物的前药化合物。
• EP2521711B1
  申请人：——

  公开号：EP2521711B1

  公开（公告）日：2017-08-16
• US9670200B2
  申请人：——

  公开号：US9670200B2

  公开（公告）日：2017-06-06
• [EN] QUATERNARY AMMONIUM SALT PRODRUGS<br/>[FR] PROMÉDICAMENTS CONTENANT DES SELS D'AMMONIUM QUATERNAIRE
  申请人：ALKERMES INC

  公开号：WO2011084846A1

  公开（公告）日：2011-07-14

  The invention provides a method of sustained delivery of a tertiary amine-containing parent drug comprising administering to a patient an effective amount of a prodrug compound of the invention wherein upon administration to the patient, release of the parent drug from the prodrug is sustained release. Prodrug compounds suitable for use in the methods of the invention are labile quaternary ammonium salts of tertiary amine-containing parent drugs (or tertiary imine-containing parent drugs) that are derivatized through aldehyde-linked prodrug moieties that reduce the solubility of the prodrug compound at a reference pH as compared to the parent drug. The physical, chemical and solubility properties of these derivatives can be further modulated by the choice of counterion X". In one embodiment, the present invention provides a prodrug compound of Formula I: where R1-R5 are defined in the written description of the invention. The prodrug compounds of the invention can be used to treat any condition for which the tertiary amine-containing parent drug or tertiary imine-containing parent drug is useful as a treatment.
• [EN] DIARYLDIAZEPINE PRODRUGS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS<br/>[FR] PROMÉDICAMENTS DE LA DIARYLDIAZÉPINE DESTINÉS AU TRAITEMENT D'AFFECTIONS NEUROLOGIQUES ET PSYCHOLOGIQUES
  申请人：ALKERMES INC

  公开号：WO2011084849A1

  公开（公告）日：2011-07-14

  The present invention provides prodrug compounds of diaryidiazepine drug compounds.