An efficient and simple approach for synthesizing indazole compounds using palladium-catalyzed Suzuki-Miyaura cross-coupling.
| Autor: | Gopi B; Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology Vellore 632014 India kvpsvijayakumar@gmail.com vvijayakumar@vit.ac.in., Vijayakumar V; Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology Vellore 632014 India kvpsvijayakumar@gmail.com vvijayakumar@vit.ac.in. |
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| Jazyk: | angličtina |
| Zdroj: | RSC advances [RSC Adv] 2024 Aug 22; Vol. 14 (36), pp. 26494-26504. Date of Electronic Publication: 2024 Aug 22 (Print Publication: 2024). |
| DOI: | 10.1039/d4ra04633a |
| Abstrakt: | A series of indazole derivatives (6a-6i and 7a-7i) has been synthesized using Suzuki Miyaura cross-coupling with a palladium catalyst from readily available starting materials. An efficient and reliable methodology was employed for the synthesis, and the compounds were thoroughly characterized using 1 H NMR, 13 C NMR, FT-IR, and HRMS analysis to confirm their structural integrity and purity. Density function theory (DFT) computation identified four compounds (6g, 6h, 7g, and 7h) with significant energy band gaps. Additionally, the molecular electrostatic potential study highlighted the distinct electrical characteristics of these indazole molecules. Subsequent molecular docking investigations were carried out using the AUTODOCK method with two separate protein data bank (PDB) structures (6FEW, 4WA9) involved in renal cancer pathways. The results showed that eight substances PDB: 6FEW (6g, 6h, 7g, and 7h) and PDB: 4WA9 (6a, 6c, and 7c, 7g) had the highest binding energies, indicating their potential as therapeutic agents for treating kidney cancer. Competing Interests: No conflict of interest. (This journal is © The Royal Society of Chemistry.) |
| Databáze: | MEDLINE |
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