Valbenazine dihydrochloride | 1639208-51-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Valbenazine dihydrochloride
• 英文别名: [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate;dihydrochloride
• CAS: 1639208-51-7
• 化学式: C24H40Cl2N2O4
• 分子量: 491.5
• InChiKey: PMSGGBFTMLDQAW-TZYFFPFWSA-N

物化性质

• LogP：
  3.69

计算性质

• 辛醇/水分配系数(LogP)：
  4.41
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  74
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11bR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11b-HEXAHYDRO-1H-PYRIDO[2,1-a]ISOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE)
  申请人：Neurocrine Biosciences, Inc.

  公开号：US20170183346A1

  公开（公告）日：2017-06-29

  Provided herein are processes for the preparation of (S)-(2R,3R,11bR-3-isobuty-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate), or a solvate, hydrate, or polymorph thereof.

  本文提供了一种制备(S)-(2R,3R,11bR-3-异丁基-9,10-二甲氧基-2,3,4,6,7,11b-六氢-1H-吡啶并[2,1-a]异喹啉-2-基)2-氨基-3-甲基丁酸二(对甲苯磺酸盐)或其溶剂结晶体、水合物或多晶形态的方法。
• VALBENAZINE SALTS AND POLYMORPHS THEREOF
  申请人：Neurocrine Biosciences, Inc.

  公开号：US20170145008A1

  公开（公告）日：2017-05-25

  Provided herein are salts of (S)-2-amino-3-methyl-butyric acid (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl ester in amorphous and crystalline forms, and processes of preparation, and pharmaceutical compositions thereof. Also provided are methods of their use for treating, preventing, or ameliorating one or more symptoms of neurological disorders and diseases including hyperkinetic movement disorders or diseases.

  本文提供了(S)-2-氨基-3-甲基-丁酸(2R,3R,11bR)-3-异丁基-9,10-二甲氧基-1,3,4,6,7,11b-六氢-2H-吡啶[2,1-a]异喹啉-2-基酯的无定形和晶体盐，以及其制备方法和药物组成物。还提供了它们用于治疗、预防或缓解神经系统疾病的一个或多个症状，包括高动力运动障碍或疾病的方法。
• Valbenazine salts and polymorphs thereof
  申请人：Neurocrine Biosciences, Inc.

  公开号：US10065952B2

  公开（公告）日：2018-09-04

  Provided herein are salts of (S)-2-amino-3-methyl-butyric acid (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl ester in amorphous and crystalline forms, and processes of preparation, and pharmaceutical compositions thereof. Also provided are methods of their use for treating, preventing, or ameliorating one or more symptoms of neurological disorders and diseases including hyperkinetic movement disorders or diseases.

  本文提供了(S)-2-氨基-3-甲基丁酸(2R,3R,11bR)-3-异丁基-9,10-二甲氧基-1,3,4,6,7,11b-六氢-2H-吡啶[2,1-a]异喹啉-2-酯的无定形和晶体盐，以及其制备方法和制药组合物。还提供了它们用于治疗、预防或缓解神经系统疾病和症状，包括高动力性运动障碍或疾病的方法。
• SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE)
  申请人：Neurocrine Biosciences, Inc.

  公开号：US20200347057A1

  公开（公告）日：2020-11-05

  Provided herein are processes for the preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate), or a solvate, hydrate, or polymorph thereof.

  本文提供了制备(S)-(2R,3R,11bR)-3-异丁基-9,10-二甲氧基-2,3,4,6,7,11b-六氢-1H-吡啶[2,1-a]异喹啉-2-基2-氨基-3-甲基丁酸二(4-甲基苯磺酸盐)或其溶剂合物、水合物或多晶体的工艺。
• Synthetic methods for preparation of (S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate)
  申请人：Neurocrine Biosciences, Inc.

  公开号：US10160757B2

  公开（公告）日：2018-12-25

  Provided herein are processes for the preparation of (S)-(2R,3R,11bR-3-isobuty-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate di(4-methylbenzenesulfonate), or a solvate, hydrate, or polymorph thereof.

  本文提供了制备(S)-(2R,3R,11bR-3-异丁基-9,10-二甲氧基-2,3,4,6,7,11b-六氢-1H-吡啶并[2,1-a]异喹啉-2-基 2-氨基-3-甲基丁酸二(4-甲基苯磺酸)酯或其溶液、水合物或多晶型物的工艺。