Synthesis, Optimization, ADME Analysis, and Antioxidant Activityof 2-(Arylethynyl)-3-ethynylthiophenes
2021
2,3-Dialkynylthiophene derivatives were synthesized by using regio- and
stereocontrolled Pd-catalyzed Sonogashira coupling and desilylation reactions.
The synthesized compounds were analyzed in silico for their pharmacokinetic
parameters, general toxicity, and drug scores. In particular,
3-ethynyl-2-(phenylethynyl)thiophene and
3-ethynyl-2-[(4-methylphenyl)ethynyl]thiophene were found to have relatively
high drug scores and low toxicities. The antioxidant activity of the title
compounds were evaluated by five different assays.
3-Ethynyl-2-(naphthalen-1-ylethynyl)thiophene displayed significant reducing and
free radical scavenging activities.
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