EventsThe 27th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-27-16108
This submission belongs to the session S1. General Organic Synthesis of the event The 27th International Electronic Conference on Synthetic Organic Chemistry
Published date
15 Nov, 2023
Academic Editor
author-avatarJulio A. Seijas
Citation
CARLOS J. CORTES-GARCIA, Abel Suárez-Castro, Luz E. Tierrablanca-Arias, Hugo Cervantes-Valencia, Luis Chacón-García, Mitzi N. Piña-Gordillo, Aldehyde phenylamino-pyrimidine as key precursor for the synthesis of Imatinib analogs and in silico studies of their intermediates, in Proceedings of The 27th International Electronic Conference on Synthetic Organic Chemistry, 15 November–30 November 2023, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-27-16108
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Aldehyde phenylamino-pyrimidine as key precursor for the synthesis of Imatinib analogs and in silico studies of their intermediates

Luz E. Tierrablanca-Arias 1
Hugo Cervantes-Valencia 1
Mitzi N. Piña-Gordillo 1
Luis Chacón-García 2
Abel Suárez-Castro 2
CARLOS J. CORTES-GARCIA 3
1. Laboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo. Ciudad Universitaria, C.P. 58030, Morelia, Michoacán, Mexico, Mexico
2. laboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo. Ciudad Universitaria, C.P. 58033, Morelia, Michoacán, México, Mexico
3. Laboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58030, Michoacán, Mexico;, Mexico
Abstract

The synthesis of aldehyde-pap as a key precursor through a triple reaction sequence: diazotization-addition/CuAAC/oxidation by using 4-methyl-N3-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine as the starting material is described. Furthermore, a molecular docking study was conducted to assess the potential of these compounds as possible ABL kinase inhibitors. Finally, leveraging our in silico investigations, we introduce a small virtual library of compounds Imatinib analogs, which will aid in identifying the optimal candidates for further in vitro experimentation.

Keywords
Imatinib analogs
phenylamino-pyrimidine
molecular docking
1,2,3,-triazoles
Manuscript
sciforum-081873-clean.pdf
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