9,10-dimethoxy-2-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline | 133326-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 9,10-dimethoxy-2-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline
• 英文别名: 9,10-Dimethoxy-2-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin；9,10-Dimethoxy-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline；9,10-dimethoxy-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
• CAS: 133326-76-8
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: IJMLMVUGYGSTFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  24.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3,4-dimethoxy-phenethyl)-4-methyl-piperazine-2,6-dione 在 硫酸 、 三氯氧磷 作用下， 生成 9,10-dimethoxy-2-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline
  参考文献：
  名称：

  Yamazaki, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1003,1006

  摘要：

  DOI：

文献信息

• VMAT2 inhibitor compounds and compositions thereof
  申请人：Neurocrine Biosciences, Inc.

  公开号：US11040970B2

  公开（公告）日：2021-06-22

  Provided is a compound selected from compounds of Formula (I) and pharmaceutically acceptable salts, solvates, and hydrates thereof: (I) wherein R1, R2, R3 and R4 are as defined herein. Such compounds are inhibitors of the vesicular monoamine transporter 2 (VMAT2) and have utility for treating, for example, neurological and psychiatric diseases and disorders. Also disclosed are compositions containing such compounds in combination with a pharmaceutically acceptable carrier, as well as methods relating to their use in subjects in need thereof.

  本发明提供了一种选自式（I）化合物及其药学上可接受的盐、溶液剂和水合物的化合物：（I）其中 R1、R2、R3 和 R4 如本文所定义。这类化合物是囊泡单胺转运体 2（VMAT2）的抑制剂，可用于治疗神经和精神疾病及失调等。此外，还公开了含有此类化合物并与药学上可接受的载体相结合的组合物，以及将其用于有需要的受试者的相关方法。
• VMAT2 INHIBITOR COMPOUNDS AND COMPOSITIONS THEREOF
  申请人：Neurocrine Biosciences, Inc.

  公开号：US20200131173A1

  公开（公告）日：2020-04-30

  Provided is a compound selected from compounds of Formula (I) and pharmaceutically acceptable salts, solvates, and hydrates thereof: (I) wherein R 1 , R 2 , R 3 and R 4 are as defined herein. Such compounds are inhibitors of the vesicular monoamine transporter 2 (VMAT2) and have utility for treating, for example, neurological and psychiatric diseases and disorders. Also disclosed are compositions containing such compounds in combination with a pharmaceutically acceptable carrier, as well as methods relating to their use in subjects in need thereof.