Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their Intermediates
The synthesis of aldehyde-PAP as a key precursor through a triple reaction sequence: diazotization-addition/CuAAC/oxidation by using 4-methyl-<i>N</i><sup>3</sup>-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine as the starting material is described. Furthermore, a molecul...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-11-01
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| Series: | Chemistry Proceedings |
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| Online Access: | https://www.mdpi.com/2673-4583/14/1/46 |
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| author | Luz E. Tierrablanca-Arias Hugo Cervantes-Valencia Mitzi N. Piña-Gordillo Luis Chacón-García Abel Suárez-Castro Carlos J. Cortes-García |
| author_facet | Luz E. Tierrablanca-Arias Hugo Cervantes-Valencia Mitzi N. Piña-Gordillo Luis Chacón-García Abel Suárez-Castro Carlos J. Cortes-García |
| author_sort | Luz E. Tierrablanca-Arias |
| collection | DOAJ |
| description | The synthesis of aldehyde-PAP as a key precursor through a triple reaction sequence: diazotization-addition/CuAAC/oxidation by using 4-methyl-<i>N</i><sup>3</sup>-[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 compound Imatinib analogs, which will aid in identifying the optimal candidates for further in vitro experimentation. |
| format | Article |
| id | doaj-art-4c019a45b9cf4841ac881e40ddc3e12d |
| institution | OA Journals |
| issn | 2673-4583 |
| language | English |
| publishDate | 2023-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Chemistry Proceedings |
| spelling | doaj-art-4c019a45b9cf4841ac881e40ddc3e12d2025-08-20T02:00:39ZengMDPI AGChemistry Proceedings2673-45832023-11-011414610.3390/ecsoc-27-16108Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their IntermediatesLuz E. Tierrablanca-Arias0Hugo Cervantes-Valencia1Mitzi N. Piña-Gordillo2Luis Chacón-García3Abel Suárez-Castro4Carlos J. Cortes-García5Laboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58030, Michoacán, MexicoLaboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58030, Michoacán, MexicoLaboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58030, Michoacán, MexicoLaboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58030, Michoacán, MexicoLaboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58030, Michoacán, MexicoLaboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58030, Michoacán, MexicoThe synthesis of aldehyde-PAP as a key precursor through a triple reaction sequence: diazotization-addition/CuAAC/oxidation by using 4-methyl-<i>N</i><sup>3</sup>-[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 compound Imatinib analogs, which will aid in identifying the optimal candidates for further in vitro experimentation.https://www.mdpi.com/2673-4583/14/1/46Imatinib analogsphenylamino-pyrimidinemolecular docking1,2,3,-triazoles |
| spellingShingle | Luz E. Tierrablanca-Arias Hugo Cervantes-Valencia Mitzi N. Piña-Gordillo Luis Chacón-García Abel Suárez-Castro Carlos J. Cortes-García Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their Intermediates Chemistry Proceedings Imatinib analogs phenylamino-pyrimidine molecular docking 1,2,3,-triazoles |
| title | Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their Intermediates |
| title_full | Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their Intermediates |
| title_fullStr | Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their Intermediates |
| title_full_unstemmed | Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their Intermediates |
| title_short | Aldehyde Phenylamino-Pyrimidine as Key Precursor for the Synthesis of Imatinib Analogs and In Silico Studies of Their Intermediates |
| title_sort | aldehyde phenylamino pyrimidine as key precursor for the synthesis of imatinib analogs and in silico studies of their intermediates |
| topic | Imatinib analogs phenylamino-pyrimidine molecular docking 1,2,3,-triazoles |
| url | https://www.mdpi.com/2673-4583/14/1/46 |
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