1-(Benzo[b]thiophen-4-yl)piperazine dihydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(Benzo[b]thiophen-4-yl)piperazine dihydrochloride
• 英文别名: 1-(1-benzothiophen-4-yl)piperazine;dihydrochloride
• 化学式: C12H16Cl2N2S
• 分子量: 291.2
• InChiKey: UNMUGUDMFAWBOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.15
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.5
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• MALEATE OF BENZOTHIOPHENE COMPOUND, CRYSTALLINE FORM THEREOF AND USE THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP3812384A1

  公开（公告）日：2021-04-28

  The present invention relates to a maleate salt of a benzothiophene compound, a crystalline form and use thereof. Specifically, the present invention relates to a compound of formula (I-A), a crystalline form A, a preparation method thereof and a pharmaceutical composition comprising the same, and a use thereof in the preparation of drugs for preventing or treating the central nervous system diseases. The compound of formula (I-A) and the crystalline form A thereof in the present invention have excellent physical and chemical properties, high oral bioavailability, and the best comprehensive properties for preparing into drugs and they are more suitable for making pharmaceutical preparations and more suitable for storage.

  本发明涉及一种苯并噻吩化合物的马来酸盐、结晶形式及其用途。具体地说，本发明涉及一种式（I-A）化合物、其结晶形式 A、其制备方法和由其组成的药物组合物，以及其在制备预防或治疗中枢神经系统疾病的药物中的用途。本发明中的式(I-A)化合物及其结晶形式A具有优异的理化性质，口服生物利用度高，制备成药物的综合性能最好，更适合制备药物制剂，更适合储存。
• Maleate salt of benzothiophene compound, crystalline form thereof, and use thereof
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US11384073B2

  公开（公告）日：2022-07-12

  The present disclosure relates to a maleate salt of a benzothiophene compound, a crystalline form thereof, and a use thereof. Specifically, the present disclosure relates to a compound represented by formula (I-A), a crystalline form A thereof, a preparation method of a pharmaceutical composition including the same, and a use of the pharmaceutical composition in the preparation of drugs for preventing or treating diseases of the central nervous system. The compound represented by formula (I-A) and the crystalline form A thereof in the present disclosure have excellent physical and chemical properties, high oral bioavailability, excellent drugability, and are well-suited for pharmaceutical preparation, application, and preservation.

  本公开涉及一种苯并噻吩化合物的马来酸盐、其结晶形式及其用途。具体而言，本公开涉及一种由式（I-A）代表的化合物、其结晶形式 A、包括其在内的药物组合物的制备方法，以及该药物组合物在制备预防或治疗中枢神经系统疾病的药物中的用途。本公开中式（I-A）代表的化合物及其结晶形式 A 具有优异的物理和化学性质，口服生物利用度高，可药用性优异，非常适合药物制备、应用和保存。
• MALEATE SALT OF BENZOTHIOPHENE COMPOUND, CRYSTALLINE FORM THEREOF, AND USE THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20210309648A1

  公开（公告）日：2021-10-07

  The present disclosure relates to a maleate salt of a benzothiophene compound, a crystalline form thereof, and a use thereof. Specifically, the present disclosure relates to a compound represented by formula (I-A), a crystalline form A thereof, a preparation method of a pharmaceutical composition including the same, and a use of the pharmaceutical composition in the preparation of drugs for preventing or treating diseases of the central nervous system. The compound represented by formula (I-A) and the crystalline form A thereof in the present disclosure have excellent physical and chemical properties, high oral bioavailability, excellent drugability, and are well-suited for pharmaceutical preparation, application, and preservation.