8-Oxido-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azoniaspiro[4.5]decane-7,9-dione

• 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: 8-Oxido-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azoniaspiro[4.5]decane-7,9-dione
• 英文别名: 8-oxido-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azoniaspiro[4.5]decane-7,9-dione
• 化学式: C21H31N5O3
• 分子量: 401.5
• InChiKey: GPDNQPTXEBOOSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] SELECTIVE MODIFICATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF AMINES AND/OR SULFIDES<br/>[FR] MODIFICATION SÉLECTIVE DE COMPOSÉS ORGANIQUES EN PRÉSENCE D'AMINES ET/OU DE SULFURES
  申请人：HEPATOCHEM

  公开号：WO2014152737A1

  公开（公告）日：2014-09-25

  Disclosed herein is a method for selectively modifying a substitutable carbon atom of an organic compound containing an amine, a sulfide, or an amine and a sulfide. The method makes use of the reactivity of amines and sulfides, which can be selectively oxidized to form oxides that are inert under the conditions of many modification reactions and selectively reduced, by protecting the amine, the sulfide, or the amine and the sulfide in the organic compound as an oxide; subjecting the oxide-containing organic compound to reaction conditions suitable to effect a modification reaction; and deprotecting the amine, the sulfide, or the amine and the sulfide in the modified oxide-containing organic compound using a reducing agent, thereby selectively modifiying a substitutable carbon atom of an organic compound containing an amine, a sulfide, or an amine and a sulfide.

  本文揭示了一种用于选择性地修改含有胺、硫醚或胺和硫醚的有机化合物中可替代碳原子的方法。该方法利用了胺和硫醚的反应性，可以选择性地氧化形成在许多改性反应条件下是惰性的氧化物，并通过保护有机化合物中的胺、硫醚或胺和硫醚作为氧化物；将含氧化物的有机化合物置于适合进行改性反应的反应条件下；并使用还原剂去保护已修改的氧化物中的胺、硫醚或胺和硫醚，从而选择性地修改含有胺、硫醚或胺和硫醚的有机化合物中的可替代碳原子。
• 6-HYDROXYBUSPIRONE FOR USE IN THE TREATMENT OF MOVEMENT DISORDERS
  申请人：Contera Pharma APS

  公开号：EP3160464B1

  公开（公告）日：2018-07-18
• USE OF BUSPIRONE METABOLITES
  申请人：CONTERA PHARMA APS

  公开号：US20170128446A1

  公开（公告）日：2017-05-11

  The present invention is directed to a composition comprising a buspirone metabolite, alone or in combination with a second active ingredient, for use in the treatment of movement disorders.