马来酸甲硫替平 | 51482-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 中文名称: 马来酸甲硫替平
• 英文名称: Methiothepin mesylate
• 英文别名: methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
• CAS: 51482-89-4；74611-28-2
• 化学式: C21H28N2O3S3
• 分子量: 452.7
• InChiKey: CZMDZGZYKOGLJY-UHFFFAOYSA-N

物化性质

• 溶解度：
  在水中的溶解度为13mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  7

制备方法与用途

生物活性 Methiothepin mesylate 是一种有效的、非选择性的 5-HT2 receptor 拮抗剂，其 pKd 值分别为：5-HT1A (7.10)、5-HT1B (7.28)、5-HT1C (7.56)、5-HT1D (6.99)、5-HT5A (7.0)、5-HT5B (7.8)、5-HT6 (8.74) 和 5-HT7 (8.99)，其 pKi 值分别为：5-HT2A (8.50)、5-HT2B (8.68) 和 5-HT2C (8.35)。

受体类型	pKd 值
5-HT1A受体	7.10
5-HT1B受体	7.28
5-HT1C受体	7.56
5-HT1D受体	6.99
5-HT5A受体	7.0
5-HT5B受体	7.8
5-HT6受体	8.74
5-HT7受体	8.99

受体类型	pKi 值
5-HT2A受体	8.50
5-HT2B受体	8.68
5-HT2C受体	8.35

体外研究 Methiothepin mesylate 是一种 5-HT 受体拮抗剂，其 pKD 值分别为：5-HT1A (7.10)、5-HT1B (7.28)、5-HT1C (7.56) 和 5-HT1D (6.99)。此外，其对于 5-HT5A、5-HT5B、5-HT6 和 5-HT7 受体的 pKD 值分别为：7.0、7.8、8.74 和 8.99。Methiothepin 在 5-HT2A、5HT2B 和 5HT2C 受体上的亲和力较高，其 pKi 值分别为 8.50、8.68 和 8.35。

文献信息

• [EN] ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS<br/>[FR] COMPOSÉS AMINES D'ARYLSULFONAMIDE ET LEUR UTILISATION EN TANT QUE LIGANDS DE 5-HT6
  申请人：SUVEN LIFE SCIENCES LTD

  公开号：WO2010032258A1

  公开（公告）日：2010-03-25

  The present invention relates to novel aryl sulfonamide amine compounds of the formula (I), their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates described herein and pharmaceutically acceptable compositions containing them.

  本发明涉及新颖的芳基磺酰胺胺化合物的化学式（I），其互变异构体，其立体异构体，其多晶形式，本文所述的药用可接受盐，所述的药用可接受溶剂化合物和含有它们的药用可接受组合物。
• ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS
  申请人：Nirogi Ramakrishna

  公开号：US20120129816A1

  公开（公告）日：2012-05-24

  The present invention relates to novel aryl sulfonamide amine compounds of the formula (I), their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates described herein and pharmaceutically acceptable compositions containing them.

  本发明涉及新颖的芳基磺酰胺胺化合物的公式（I），其互变异构体，其立体异构体，其多晶形式，其在此处描述的药用可接受盐，其在此处描述的药用可接受溶剂化合物以及含有它们的药用可接受组合物。
• [EN] N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM<br/>[FR] INDOLES N-ARYLSULFONYL-3-SUBSTITUES PRESENTANT UNE AFFINITE POUR LE RECEPTEUR DE LA SEROTONINE, METHODE DE PREPARATION ET COMPOSITION PHARMACEUTIQUE CONTENANT CES INDOLES
  申请人：SUVEN LIFE SCIENCES LTD

  公开号：WO2004048330A1

  公开（公告）日：2004-06-10

  The present invention relates to novel N-arylsulfonyl-3-substituted indole compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their geometric forms, their N-oxides, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. This invention particularly relates to novel N-arylsulfonyl-3-substituted indoles of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates, and pharmaceutically acceptable compositions containing them. This invention also relates to the process for preparing compounds of the general formula (I), pharmaceutical compositions containing such compounds and the use of such compounds and compositions in medicine. This invention also relates to the novel intermediates involved therein and process of their preparation.

  本发明涉及新型的N-芳基亚磺酰基-3-取代吲哚化合物、其衍生物、类似物、互变异构体、立体异构体、几何异构体、N-氧化物、多晶型、药物可接受的盐、药物可接受的溶剂化物以及含有它们的药物可接受组合物。本发明特别涉及具有通用公式(I)的新型N-芳基亚磺酰基-3-取代吲哚、其衍生物、类似物、互变异构体、立体异构体、多晶型、药物可接受的盐、药物可接受的溶剂化物以及含有它们的药物可接受组合物。本发明还涉及制备通用公式(I)化合物的过程、含有此类化合物的药物组合物以及此类化合物和组合物在医学中的用途。本发明还涉及其中涉及的新中间体及其制备过程。
• [EN] ARYL INDOLYL SULFONAMIDE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS<br/>[FR] COMPOSÉS ARYLINDOLYLSULFONAMIDES ET LEUR UTILISATION EN TANT QUE LIGANDS DE 5-HT6
  申请人：SUVEN LIFE SCIENCES LTD

  公开号：WO2010032257A1

  公开（公告）日：2010-03-25

  The present invention relates to novel aryl indolyl sulfonamide compounds of the formula (I), their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates described herein and pharmaceutically acceptable compositions containing them, and to their use in the manufacture of a medicament for the treatment and/or prevention of diseases related to serotonin S-HT6 receptor.

  本发明涉及新型芳基吲哚磺酰胺化合物的公式(I)，其互变异构体，其立体异构体，其多晶形态，本文所述的药学上可接受的盐，药学上可接受的溶剂化合物以及含有它们的药学上可接受的组合物，并且涉及它们在制造一种用于治疗和/或预防与5-羟色胺S-HT6受体相关疾病的药物中的用途。
• Aryl Indolyl Sulfonamide Compounds and Their Use as 5-HT6 Ligands
  申请人：Nirogi Ramakrishna

  公开号：US20110281849A1

  公开（公告）日：2011-11-17

  The present invention relates to novel aryl indolyl sulfonamide compounds of the formula (I), their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates described herein and pharmaceutically acceptable compositions containing them.

  本发明涉及新颖的芳基吲哚磺酰胺化合物（I）的结构式，它们的互变异构体、立体异构体、多晶形态、本文所述的药用可接受盐、药用可接受溶剂化合物以及含有它们的药用可接受组合物。