N-[(1R,2S)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]-octanamide | 1092472-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: N-[(1R,2S)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]-octanamide
• 英文别名: N-[(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide
• CAS: 1092472-66-6
• 化学式: C₂₃H₃₆N₂O₄
• 分子量: 404.5
• InChiKey: FJZZPCZKBUKGGU-XXBNENTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  71
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS<br/>[FR] INHIBITEURS DE GLUCOSYLCÉRAMIDE SYNTHASE DE TYPE 2-ACYLAMINOPROPOANOL
  申请人：GENZYME CORP

  公开号：WO2010039256A1

  公开（公告）日：2010-04-08

  A compound for use in treating polycystic kidney disease is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating polycystic kidney disease in a subject in need thereof comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. Methods of treating in polycystic kidney disease in a subject in need thereof respectively comprise administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  用于治疗多囊肾病的化合物由结构式（I）表示：或其药学上可接受的盐。一种药物组合物包括由结构式（I）表示的化合物或其药学上可接受的盐。治疗需要的受试者多囊肾病的方法包括向受试者施用由结构式（I）表示的化合物或其药学上可接受的盐的治疗有效量。治疗需要的受试者多囊肾病的方法分别包括向受试者施用由结构式（I）表示的化合物或其药学上可接受的盐的治疗有效量。
• [EN] PYRIDINE INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE AND THERAPEUTIC METHODS USING THE SAME<br/>[FR] INHIBITEURS PYRIDINE DE LA GLUCOSYLCÉRAMIDE SYNTHASE ET PROCÉDÉS THÉRAPEUTIQUES LES UTILISANT
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2021221953A1

  公开（公告）日：2021-11-04

  Glucosylceramide synthase inhibitors and compositions containing the same are disclosed. Methods of using the glucosylceramide synthase inhibitors in the treatment of diseases and conditions wherein inhibition of glucosylceramide synthase provides a benefit, like Gaucher disease and Fabry disease, also are disclosed.

  葡糖基鞘氨醇合成酶抑制剂和含有该抑制剂的组合物被揭示。还揭示了在治疗疾病和病况中使用葡糖基鞘氨醇合成酶抑制剂的方法，其中抑制葡糖基鞘氨醇合成酶提供益处，如高雪氏病和法布瑞氏病。
• GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME
  申请人：The Regents of The University of Michigan

  公开号：US20130095089A1

  公开（公告）日：2013-04-18

  Glucosylceramide synthase inhibitors and compositions containing the same are disclosed. Methods of using the glucosylceramide synthase inhibitors in the treatment of diseases and conditions wherein inhibition of glucosylceramide synthase provides a benefit, like Gaucher disease and Fabry disease, also are disclosed.

  葡糖基鞘氨醇合成酶抑制剂和含有该抑制剂的组合物被揭示。还揭示了在治疗疾病和病况中使用葡糖基鞘氨醇合成酶抑制剂的方法，其中抑制葡糖基鞘氨醇合成酶提供益处，如高雪氏病和法布瑞氏病。
• [EN] IMPROVED PROCESS FOR THE PREPARATION OF ELIGLUSTAT AND ITS SALTS<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA PRÉPARATION D'ÉLIGLUSTAT ET DE SES SELS
  申请人：DR REDDY' S LABORATORIES LTD

  公开号：WO2017068496A1

  公开（公告）日：2017-04-27

  The present application relates to an improved process for the preparation of Eliglustat or its pharmaceutically acceptable salts thereof. Further relates to isolation of intermediates in the form of solid and their use for preparation of Eliglustat or its pharmaceutically acceptable salts thereof.

  本申请涉及一种改进的制备Eliglustat或其药用可接受盐的过程。进一步涉及以固体形式分离中间体，并将其用于制备Eliglustat或其药用可接受盐。
• [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF ELIGLUSTAT AND ITS INTERMEDIATE<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA PRÉPARATION D'ÉLIGLUSTAT ET DE SON INTERMÉDIAIRE
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2020194138A1

  公开（公告）日：2020-10-01

  The present invention relates to an improved process for the preparation of N-((1R,2R)-1-(2,3- dihydrobenzo[b][1,4]dioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl)octanamide (A), which is known as ELIGLUSTAT and its pharmaceutically acceptable salts, comprising the formation of novel intermediate metal complex (III), which on hydrolysis in presence of acid provides amine compound (IV) (as described herein), which is treated with pyrrolidine and subsequently reduced to convert into Eliglustat (A).

  本发明涉及一种改进的制备N-((1R,2R)-1-(2,3-二氢苯并[b][1,4]二氧杂环己烯-6-基)-1-羟基-3-(吡咯烷-1-基)丙烷-2-基)辛酰胺（称为ELIGLUSTAT）及其药用可接受的盐的方法，包括形成新型中间体金属络合物（III），在酸的存在下水解形成胺化合物（IV）（如本文所述），该化合物经吡咯烷处理，随后还原转化为EligluSTat（A）。