2-[[3-[2-(二甲基氨基)乙基]-1H-吲哚-5-基]甲基]舒马普坦 | 545338-89-4

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 2-[[3-[2-(二甲基氨基)乙基]-1H-吲哚-5-基]甲基]舒马普坦
• 中文别名: 舒马曲坦二聚体琥珀酸盐；琥珀酸舒马曲坦相关物质A
• 英文名称: [[3-[2-(dimethylamino)ethyl]-2-[[3-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
• 英文别名: (3-(2-(Dimethylamino)ethyl)-2-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1H-indol-5-yl)-N-methylmethanesulfonamide；1-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
• CAS: 545338-89-4
• 化学式: C₂₇H₃₇N₅O₂S
• 分子量: 495.689
• InChiKey: UVOHQDUMFGSNEJ-UHFFFAOYSA-N

物化性质

• 熔点：
  115-120°C
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  92.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 3-[2-(dimethylamino)ethyl]-5-indolecarboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 丙酸 为溶剂， 反应 5.0h， 生成 2-[[3-[2-(二甲基氨基)乙基]-1H-吲哚-5-基]甲基]舒马普坦
  参考文献：
  名称：

  Skwierawska; Paluszkiewicz, Polish Journal of Chemistry, 2003, vol. 77, # 3, p. 329 - 332

  摘要：

  DOI：

文献信息

• ORAL FORMULATIONS FOR 5-HT-RECEPTOR AGONISTS, USES AND METHODS OF TREATMENT EMPLOYING THE SAME
  申请人：Cipla Ltd.

  公开号：EP1682100A2

  公开（公告）日：2006-07-26
• Oral formulation for 5-ht-receptor agonists, uses and methods of treatment employing the same
  申请人：Lulla Amar

  公开号：US20070077299A1

  公开（公告）日：2007-04-05

  A pharmaceutically acceptable oral formulation comprising core material which comprises a therapeutically effective amount of a 5-HT-receptor agonist, or a pharmaceutically acceptable salt, solvate or derivative thereof, which core material is provided with a substantially water resistant coating comprising one or more substantially water resistant materials.
• PHARMACEUTICAL COMPOSITIONS COMPRISING A TRIPTAN AND A NONSTEROIDAL ANTI-INFLAMMATORY DRUG
  申请人：Sreedharala Venkata Nookaraju

  公开号：US20090252791A1

  公开（公告）日：2009-10-08

  Dosage forms for administering a triptan and a nonsteroidal anti-inflammatory drug are disclosed, including multilayered tablets and mini-tablets. These multilayered tablets can be in a side-by-side arrangement, can be inlayed, or one layer can completely surround another. These can be administered in a capsule or directly. Other formulations are also disclosed.
• Oral Formulations for 5-HT-Receptor Agonists, Uses and Methods of Treatment Employing The Same
  申请人：LULLA Amar

  公开号：US20110008412A1

  公开（公告）日：2011-01-13

  A pharmaceutically acceptable oral formulation comprising core material which comprises a therapeutically effective amount of a 5-HT-receptor agonist, or a pharmaceutically acceptable salt, solvate or derivative thereof, which core material is provided with a substantially water resistant coating comprising one or more substantially water resistant materials.
• [EN] ORAL FORMULATIONS FOR 5-HT-RECEPTOR AGONISTS, USES AND METHODS OF TREATMENT EMPLOYING THE SAME<br/>[FR] FORMULATIONS ORALES D'AGONISTES DU RECEPTEUR 5-HT, UTILISATIONS ET METHODES DE TRAITEMENT FAISANT INTERVENIR CELLES-CI
  申请人：CIPLA LTD

  公开号：WO2005044222A2

  公开（公告）日：2005-05-19

  A pharmaceutically acceptable oral formulation comprising core material which comprises a therapeutically effective amount of a 5-HT-receptor agonist, or a pharmaceutically acceptable salt, solvate or derivative thereof, which core material is provided with a substantially water resistant coating comprising one or more substantially water resistant materials.