Synthesis, Crystal Structure, and In Vitro Cytotoxic, Antitumor And Antimicrobial Evaluation of a New Pyrazole Derivative N-3,5-Trimethyl-Nphenyl-1-H-Pyrazole-1-Carbothioamide

April 26, 2021

Title

Synthesis, Crystal Structure, and In Vitro Cytotoxic, Antitumor And Antimicrobial Evaluation of a New Pyrazole Derivative N-3,5-Trimethyl-Nphenyl-1-H-Pyrazole-1-Carbothioamide

Author

K.Subin Kumar

Year

2021

Journal

Pharmaceutical chemistry Journal

Abstract

Anew pyrazole molecule of N-3,5-trimethyl-N-phenyl-1-H-pyrazole-1-carbothioamide (MePhPyC) has been synthesized and characterized by elemental analysis, single crystal x-ray diffraction (XRD), and mass, 1H NMR, ultraviolet-visible (UV-Vis), and IR spectroscopic techniques. The XRD data show that MePhPyC molecule crystallizes in the monoclinic system, P21/C space group, a = 13.0473(7) Å, b = 12.6191(6) Å, c = 8.1871(4) Å, = 90°, β = 106.288(2)°, v = 900 and V =1293.86(11) Å3. The antibacterial activity of MePhPyC against test bacteria and antifungal activity against test fungi were investigated. The compound was found to possess a broad spectrum of biological activities. The synthesized molecule of MePhPyC showed highest cytotoxicity with IC50 = 49 μg/mL. In the present study, MePhPyC was found to be efficient against EAC-induced ascites tumor. Adose of 5 mg/kg body weight (bwt) was more effective than the other two concentrations (15 and 10 mg/kg bwt). In both cases of in vitro cytotoxicity and in vivo ascites tumor treatment, MePhPyC suggests its potential use as an anticancer agent.

Instrument

FT/IR-4100

Keywords

pyrazole molecule, cytoroxicity, bacteria