1,2,4-triazolo<4,3-a>pyridin-3(2H)-one sodium salt

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2,4-triazolo<4,3-a>pyridin-3(2H)-one sodium salt
• 英文别名: sodium [1,2,4]triazolo[4,3-a]pyridin-3(2H)-one；1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one,sodium salt；sodium;[1,2,4]triazolo[4,3-a]pyridin-3-olate
• 化学式: C₆H₄N₃O*Na
• 分子量: 157.107
• InChiKey: DHJVUTOGWXCZHU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.34
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  33.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-氯苯基)-4-(3-氯丙基)哌嗪盐酸盐 、 1,2,4-triazolo<4,3-a>pyridin-3(2H)-one sodium salt 在 四丁基溴化铵 、 sodium carbonate 作用下， 以 异丙醇 为溶剂， 反应 12.0h， 以83%的产率得到盐酸曲唑酮
  参考文献：
  名称：

  [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF TRAZODONE AND HYDROCHLORIDE SALT THEREOF
  [FR] PROCÉDÉ AMÉLIORÉ POUR LA PRÉPARATION DE TRAZODONE ET SON SEL DE CHLORHYDRATE

  摘要：

  本发明提供了一种改进的制备几乎纯曲唑酮及其盐酸盐的过程。该过程包括将化合物-Π（如所述）与化合物-III（如所述）在无机碱和催化剂的存在下反应；在该过程中，曲唑酮游离碱和/或其盐酸盐通过在较低温度下沉淀而得到。制备曲唑酮盐酸盐（化合物I）的改进过程将烷基化物（如本文所述）的总量作为杂质控制在不到10ppm。制备曲唑酮盐酸盐（化合物I）的改进过程将1-(3-氯苯基)-4-(3-氯丙基)哌嗪的总量作为杂质控制在不到2.5ppm。

  公开号：

  WO2015110883A1
• 作为产物：
  描述：

  吡啶三唑酮 生成 1,2,4-triazolo<4,3-a>pyridin-3(2H)-one sodium salt
  参考文献：
  名称：

  MORROW, D. F.

  摘要：

  DOI：

文献信息

• Treatment of sleeping disorders using CNS sleep target modulators
  申请人：Hypnion, Inc.

  公开号：US20030232839A1

  公开（公告）日：2003-12-18

  The invention is directed to compositions used for treating sleep disorders. In addition, the invention provides convenient methods of treatment of a sleep disorder. Furthermore, the invention provides methods of treating sleep disorders using compositions that remain active for a discrete period of time to reduce side effects. More specifically, the invention is directed to the compositions and use of ester derivatized trazodone compounds for the treatment of sleep disorders.

  该发明涉及用于治疗睡眠障碍的组合物。此外，该发明提供了治疗睡眠障碍的方便方法。此外，该发明提供了使用在特定时间段内保持活性以减少副作用的组合物治疗睡眠障碍的方法。更具体地，该发明涉及酯衍生的曲唑酮化合物的组合物和用途，用于治疗睡眠障碍。
• Effect of Modifications of the Alkylpiperazine Moiety of Trazodone on 5HT_2A and α₁ Receptor Binding Affinity
  作者：Marilena Giannangeli、Nicola Cazzolla、Maria Rita Luparini、Maurizio Magnani、Massimo Mabilia、Giuseppe Picconi、Mauro Tomaselli、Leandro Baiocchi

  DOI：10.1021/jm970700n

  日期：1999.2.1

  A series of triazolopyridine derivatives (compounds 2a-I) were synthesized in order to-explore the effect of modifications of the alkylpiperazine moiety of trazodone (fragment A) on binding affinity for 5HT(2A) and alpha(1) receptors. All of the synthesized compounds show a decrease of affinity for both 5HT(2A) and alpha(1) receptors, as compared to trazodone, with the exception of compounds 2b,c which bear a methyl group in an alpha position to the aliphatic nitrogen atom N-1. These compounds showed a decrease of affinity only for the alpha(1) receptor. The stereochemical influence of the piperazine moiety of compound 2c was also evaluated. Enantiomer (S)-2c showed the most significant differences between 5HT(2A) and alpha(1) receptor affinity (IC50 values) and among the corresponding functional properties (pA(2) values). Since (S)-2c cannot generate the metabolite 4-(3-chlorophenyl)piperazine this product was selected for further pharmacological studies.
• MORROW, D. F.
  作者：MORROW, D. F.

  DOI：——

  日期：——
• [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF TRAZODONE AND HYDROCHLORIDE SALT THEREOF<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA PRÉPARATION DE TRAZODONE ET SON SEL DE CHLORHYDRATE
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2015110883A1

  公开（公告）日：2015-07-30

  The present invention provides an improved process for preparation of the substantially pure trazodone and its hydrochloride salt. The process comprises reaction of the compound- Π (as described) with the compound-Ill (as described) optionally in the presence of an inorganic base, and a catalyst; wherein in the said process the trazodone free base and/or its hydrochloride salt are isolated by precipitation at lower temperature. The improved process for the preparation of trazodone hydrochloride (the compound I) provides the product with total amount of alkylating substances (as described herein) as impurity in less than 10 ppm. The improved process for the preparation of trazodone hydrochloride (the compound I) provides the product with total amount of l-(3-chlorophenyl)-4-(3-chloropropyl) piperazine as an impurity in less than 2.5 ppm.

  本发明提供了一种改进的制备几乎纯曲唑酮及其盐酸盐的过程。该过程包括将化合物-Π（如所述）与化合物-III（如所述）在无机碱和催化剂的存在下反应；在该过程中，曲唑酮游离碱和/或其盐酸盐通过在较低温度下沉淀而得到。制备曲唑酮盐酸盐（化合物I）的改进过程将烷基化物（如本文所述）的总量作为杂质控制在不到10ppm。制备曲唑酮盐酸盐（化合物I）的改进过程将1-(3-氯苯基)-4-(3-氯丙基)哌嗪的总量作为杂质控制在不到2.5ppm。