Malladi, S.Isloor, A.M.Shetty, P.Fun, H.-K.Telkar, S.Mahmood, R.Isloor, N.2026-02-052012Medicinal Chemistry Research, 2012, 21, 10, pp. 3272-328010542523https://doi.org/10.1007/s00044-011-9865-0https://idr.nitk.ac.in/handle/123456789/26953In the present study, a new series of 3,6-disubstituted- 1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazoles (4aj) have been synthesized by condensing 3-substituted-4-amino-5- mercapto-1,2,4-triazoles (1a-b) with various 3-substitutedpyrazole- 4-carboxylic acids (3a-e) in the presence ofPOCl3. The structures of newly synthesized compounds were characterized by elemental analysis, IR, 1H NMR, 13CNMR, and mass spectroscopic studies. Structure of the compound 4b was also confirmed by recording the single crystal X-ray structure. All the synthesized compounds were screened for their anti-inflammatory activities by carrageenan induced paw edema method. Anti-inflammatory screening indicated that, compounds 4d, 4e, and 4h were found to be biologically active whereas remaining compounds showed poor antiinflammatory activity. Also molecular docking studies were also performed for compounds which showed good antiinflammatory activity. © Springer Science+Business Media, LLC 2011.1,2,4 triazole derivative1,3,4 thiadiazole derivative3 ethyl 6 ( 3 ( 2,4 dichlorophenyl) 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadiazole3 ethyl 6 ( 3 ( 4 chlorophenyl) 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadiazole3 ethyl 6 ( 3 ( 4 fluorophenyl) 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadazole3 ethyl 6 ( 3 ( 4 methoxyphenyl) 1h pyrazol 4 yl)[ 1,2,4]triazolo[3,4 b][ 1,3,4 ]thiadiazole3 ethyl 6 ( 3 phenyl 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadiazole3 propyl 6 ( 3 ( 2,4 dichlorophenyl) 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4]thiadiazole3 propyl 6 ( 3 ( 4 chlorophenyl) 1h pyrazol 4 yl0[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadiazole3 propyl 6 ( 3 ( 4 fluorophenyl) 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadiazole3 propyl 6 ( 3 ( 4 methoxyphenyl) 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadiazole3 propyl 6 ( 3 phenyl 1h pyrazol 4 yl)[ 1,2,4 ]triazolo[3,4 b][ 1,3,4 ]thiadiazoleantiinflammatory agentcarrageenandiclofenacpyrazolepyrazole derivativeunclassified druganimal experimentantiinflammatory activityarticlecarbon nuclear magnetic resonancechemical analysischemical structurecomputer modelcontrolled studycrystal structuredrug screeningdrug synthesisfemalein vitro studyinfrared spectroscopymalemass spectrometrymolecular dockingnonhumanpaw edemaproton nuclear magnetic resonanceratsubstitution reactionX ray crystallography