- Synthesis, Crystal Structure and Docking Studies as Potential Anti-Inflammatory Agents of Novel Antipyrine Sulfanyl Derivatives
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The InCl3-catalyzed green synthesis of sulfanyl- and oxasulfanyl-substituted antipyrine derivatives (10 examples) through the thiomethylation of the substrate at the С(4)-Н position by formaldehyde and thiols or α,ω-mercaptoalkanols in water has been first developed. An X-ray diffraction study of the structures and molecular packing of compounds 4a, 4c-e demonstrated that the extension of the substitution chain with one methylene unit for compound 4d versus compounds 4а, 4c, and 4e results in the formation of a 2D (network) instead of 1D motif (chains). Using the molecular docking method, objective assumptions were made about the selectivity of anti-inflammatory action for S- and O,S-derivatives of antipyrine.
- Akhmadiev, Nail S.,Akhmetova, Vnira R.,Ibragimov, Askhat G.,Khairullina, Veronica R.,Khalilov, Leonard M.,Mescheryakova, Ekaterina S.
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