Saturday, 13 July 2024

Design and Synthesis of 1,2,3-triazole-Acetaminophen Hybrids from Expired Commercial Acetaminophen Tablets and their In-silico ADME-Tox Properties | Chapter 8 | Current Innovations in Chemical and Materials Sciences Vol. 9

 

A combination of two promising pharmacophore cores like 1,2,3-triazole (TA) and acetaminophen (APAP) in a single molecular entity could be useful in the lead optimization step of drug research. Therefore, designing and preparing new conjugated TA-APAP molecules is an important and actual task. This book chapter describes an impressively efficient catalyzed Huisgen reaction-based method for preparing a series of new 1-substituted 1,2,3-triazole-acetaminophen hybrids. The developed method, which does not require chromatography column separation, is a practical and efficient solution. It consists of the initial efficient O-propargylation reaction of APAP and subsequent CuBr(PPh3)3-catalyzed [3+2] cycloaddition reaction between O-propargylated APAP and diverse organoazides (R-N3) in the presence of tert-BuOH: H2O (1:1) system. APAP was easily obtained from expired commercial tablets using solid-liquid extraction as a starting material. An interesting nitric oxide-releasing 1,2,3-triazole hybrid of APAP was also obtained straightforwardly employing the developed method. These new drug hybrids were obtained with good yields (64–93%). According to the in-silico ADME-Tox assessment studies performed in this work and literature analysis, these hybrids could be interesting models in search of new pharmacological nontoxic agents endowed with anti-inflammatory and anticancer properties.

Author(s) Details:

Daniela Calderón Lamus,
Laboratorio de Química Orgánica y Biomolecular, Escuela de Química, Universidad Industrial de Santander, A.A. 680002, Bucaramanga, Colombia.


Prof. Dr. Vladimir V. Kouznetsov

Laboratorio de Química Orgánica y Biomolecular, Escuela de Química, Universidad Industrial de Santander, A.A. 680002, Bucaramanga, Colombia.

 

Please see the link here: https://stm.bookpi.org/CICMS-V9/article/view/14339

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