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GLYCEROL MEDIATED ONE-POT SYNTHESIS OF PYRAZOLE CONJUGATED TETRAHYDROQUINOLINE DERIVATIVES AND EVALUATION OF THEIR ANTICANCER ACTIVITY

GLYCEROL MEDIATED ONE-POT SYNTHESIS OF PYRAZOLE CONJUGATED TETRAHYDROQUINOLINE DERIVATIVES AND EVALUATION OF THEIR ANTICANCER ACTIVITY

Author: N. Amarnath Reddy, K. Kamala, Raveendra Dayam, K. V. Saritha
Abstract

Pyrazole scaffold is an important building block in many of the medicinally active new chemical entities. In the current work, synthesis of pyrazole conjugated tetrahydroquinoline derivatives has been achieved by treating 3-methyl-1-phenyl-1H-pyrazol-5-amine (1), 5,5-dimethylcyclohexane-1,3-dione (2), and benzaldehydes (3) at 80-85 oC for 60-90 min using glycerol as green reaction medium. The anti-cancer activity of the synthesized pyrazole-conjugates was carried out on breast cancer (MCF-7) and liver cancer (A549) cell lines. Two among the tested compounds showed potential inhibition on A549 cell lines. Further, molecular modeling studies have performed and the binding interactions with the target protein have been observed. Additionally, pharmacokinetic properties such as bioavailability, log P, total polar surface area and blood brain barrier (BBB) have been predicted using SwissADME tools to get insight into the further structural optimization.

Keywords: 3-Methyl-1-phenyl-1H-pyrazol-5-amine; 5,5-dimethylcyclohexane-1,3-dione; one-pot reaction; glycerol; anticancer activity

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