3-[[(2S)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indole

• 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
• 英文名称: 3-[[(2S)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indole
• 英文别名: 5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
• 化学式: C₂₂H₂₄N₂O₂S
• 分子量: 380.5
• InChiKey: MJICWWOZPCLNBP-ACCUITESSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Process
  申请人：Furlong Joseph Patrick

  公开号：US20050020663A1

  公开（公告）日：2005-01-27

  The present invention provides an improved process for the preparation of α-polymorphic eletriptan hydrobromide.

  本发明提供了一种改进的方法，用于制备α-多形性盐酸依利舍通。
• Salts of (R)-5-(2phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole and of eletriptan
  申请人：KANSAL Vinod Kumar

  公开号：US20090299077A1

  公开（公告）日：2009-12-03

  The present invention relates to salts of (R)-5-(2-phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole of the formula: wherein HX is an acid selected from para-toluene sulfonic acid, benzene sulphonic acid, trifluoroacetic acid, methane sulphonic acid, formic acid and succinic acid; and to processes of preparing and using such salts.

  这项发明涉及以下化学式的(R)-5-(2-苯磺酰乙烯基)-3-(N-甲基吡咯烷-2-基甲基)-1H-吲哚的盐： 其中HX是从对甲苯磺酸、苯磺酸、三氟乙酸、甲磺酸、甲酸和琥珀酸中选择的酸；以及制备和使用这种盐的方法。
• PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF
  申请人：Sathe Dhananjay Govind

  公开号：US20120071669A1

  公开（公告）日：2012-03-22

  The present invention relates to an improved process for the preparation of 3-(N-methyl-2(R)-pyrrolidinyl methyl)-5-[2-(phenyl sulfonyl)ethyl]-1H-indole or pharmaceutically acceptable salts thereof, particularly 3-(N-methyl-2(R)-pyrrolidinyl methyl)-5-[2-(phenyl sulfonyl)ethyl]-1H-indole hydrobromide (Eletriptan hydrobromide). The present invention further relates to novel polymorphs of 3-(N-methyl-2(R)-pyrrolidinyl methyl)-5-[2-(phenyl sulfonyl)ethenyl]-1H-indole hydrobromide and process for preparation thereof.

  本发明涉及一种改进的制备3-(N-甲基-2(R)-吡咯烷基)-5-[2-(苯基磺酰基)乙基]-1H-吲哚或其药学上可接受的盐，特别是3-(N-甲基-2(R)-吡咯烷基)-5-[2-(苯基磺酰基)乙基]-1H-吲哚溴化氢盐（依那曲坦溴化氢盐）。本发明还涉及3-(N-甲基-2(R)-吡咯烷基)-5-[2-(苯基磺酰基)乙烯基]-1H-吲哚溴化氢盐的新晶型及其制备方法。
• HIGHLY PURE ELETRIPTAN OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF ELETRIPTAN N-OXIDE IMPURITY
  申请人：Kusumba Vijaya Gopal

  公开号：US20120027816A1

  公开（公告）日：2012-02-02

  Provided herein is an impurity of eletriptan, eletriptan N-oxide, (R)-5-[2- (phenylsulfonypethyl]-3-[(1-methyl-2-pyrrolidinyl-N-oxide)methyl]-1H-indole, and a process for the preparation and isolation thereof. Provided further herein is a highly pure eletriptan or a pharmaceutically acceptable salt thereof substantially free of eletriptan N-oxide impurity, processes for the preparation thereof, and pharmaceutical compositions comprising highly pure eletriptan or a pharmaceutically acceptable salt thereof substantially free of eletriptan N-oxide impurity.

  本文提供了厄匹特坦的杂质，厄匹特坦N-氧化物，(R)-5-[2-(苯磺酰基乙基)-3-[(1-甲基-2-吡咯烷基-N-氧化物)甲基]-1H-吲哚的制备和分离方法。此外，本文还提供了高纯度的厄匹特坦或其在实质上不含厄匹特坦N-氧化物杂质的药用盐，以及其制备方法和包含高纯度厄匹特坦或其在实质上不含厄匹特坦N-氧化物杂质的药用盐的药物组合物。
• [EN] PROCESS FOR PREPARING ELETRIPTAN HYDROBROMIDE HAVING a-FORM<br/>[FR] PROCÉDÉ DE PRÉPARATION DE BROMHYDRATE D'ÉLÉTRIPTAN AYANT UNE FORME ?
  申请人：SMS PHARMACEUTICALS LTD

  公开号：WO2011089614A1

  公开（公告）日：2011-07-28

  A process for preparation of eletriptan hydrobromide having α-form of formula (I) is described that includes reducing 3-((R)-1-methylpyrrolidin-2-yl)methyl)-5-((E)-2-(phenylsulfonyl)vinyl)-1H-indole of formula (II) in presence of a metal catalyst to the product of formula (III) and then converting to hydrobromide salt having α-form of formula (I).

  描述了一种制备α-型分子式（I）的盐酸依那替普的过程，该过程包括在金属催化剂存在下将分子式（II）的3-((R)-1-甲基吡咯烷-2-基)甲基)-5-((E)-2-(苯磺酰基)乙烯基)-1H-吲哚还原为分子式（III）的产物，然后转化为具有分子式（I）的盐酸盐。