83BD34Bsu3 | 1640353-02-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 83BD34Bsu3
• 英文别名: 5-[4-[4-[1-[[4-(2-carbamoyl-1-benzofuran-5-yl)piperazin-1-yl]methyl]-5-cyanoindol-3-yl]butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
• CAS: 1640353-02-1
• 化学式: C₄₀H₄₂N₈O₄
• 分子量: 698.8
• InChiKey: DBDKAVGLSPIFMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  52
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• [EN] SUBSTANTIALLY PURE VILAZODONE HYDROCHLORIDE AND A PROCESS THEREOF<br/>[FR] CHLORHYDRATE DE VILAZODONE SENSIBLEMENT PUR ET SON PROCÉDÉ DE PRÉPARATION
  申请人：LUPIN LTD

  公开号：WO2014199313A1

  公开（公告）日：2014-12-18

  The present invention relates to a process for preparation of substantially pure Vilazodone Hydrochloride and also relates to an isolated impurity of Vilazodone. The said process for producing Vilazodone, 1-[4-(5-cyanoindol-3-yl) butyl]-4-(2-carbonyl benzofuran-5-yl) piperazine represented by formula (1) or a pharmaceutically acceptable salt thereof comprises condensing the compound of formula (2) With a compound of formula (3) in an alcoholic solvent to obtain a white to yellow solid; isolating the solid obtained therefrom; slurry washing the solid obtained with water miscible solvent; dissolving the solid obtained therefrom in an amide solvent to obtain a solution; adding an aqueous solution of sodium metabisulphite and an inorganic base to the solution obtained to obtain the compound of formula (1) and optionally converting the solid obtained in step (v) to its pharmaceutically acceptable salt.

  本发明涉及制备几乎纯的维拉唑酮盐酸盐的过程，以及维拉唑酮的一种分离杂质。所述制备维拉唑酮的方法，即制备式（1）或其药学上可接受的盐的1-[4-(5-氰基吲哚-3-基)丁基]-4-(2-羰基苯并呋喃-5-基)哌嗪，包括将式（2）的化合物与式（3）的化合物在醇溶剂中缩合，得到白色至黄色固体；从中分离得到的固体；用水溶性溶剂混悬洗涤得到的固体；将从中得到的固体溶解于酰胺溶剂中得到溶液；向所得溶液中加入亚硫酸钠水溶液和无机碱，得到式（1）的化合物，可选择将步骤（v）中得到的固体转化为其药学上可接受的盐。