69443-64-7

Upstream product

• 50-85-1 2-hydroxy-p-toluic acid 
• 60770-00-5 ethyl 4-methylsalicylate 
• 4670-56-8 methyl 2-hydroxy-4-methylbenzoate 

Downstream Products

• 1215178-14-5 N-propionyl-N'-4-methylsalicylhydrazine 
• 1325213-82-8 N'-(cyclohex-3-enylcarbonyl)-4-methylsalicylic hydrazide 
• 1357083-07-8 2-(5-mercapto-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1357083-12-5 2-(5-(benzylthio)-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1378258-54-8 2-(5-((2-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1378258-55-9 2-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1378258-56-0 2-(5-((4-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1378258-60-6 2-(5-((2-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1378258-63-9 2-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1378258-65-1 5-methyl-2-(5-((3-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)phenol 
• 1378258-68-4 5-methyl-2-(5-((4-methylbenzyl)thio)-1,3,4-oxadiazol-2-yl)phenol 
• 1378258-75-3 2-(5-((4-methoxybenzyl)thio)-1,3,4-oxadiazol-2-yl)-5-methylphenol 
• 1378258-77-5 5-methyl-2-(5-((2-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)phenol 
• 1378258-81-1 5-methyl-2-(5-((3-nitrobenzyl)thio)-1,3,4-oxadiazol-2-yl)phenol 

Relevant academic research and scientific papers

Containing 2 - mercapto acetophenone 1, 3, 4 - oxadiazole derivative and its preparation and anti-tumor activity

The invention relates to a 2-mercaptoacetophenone-containing 1, 3, 4-oxadiazole derivative, which is characterized by having a general formula as the following. In the formula, R1 represents the following, and R2 represents -H -Br. The 2-mercaptoacetophen

Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents

A series of novel 1,3,4-oxadiazole thioether derivatives (compounds 9-44) were designed and synthesized as potential inhibitors of thymidylate synthase (TS) and as anticancer agents. The in vitro anticancer activities of these compounds were evaluated against three cancer cell lines by the MTT method. Among all the designed compounds, compound 18 bearing a nitro substituent exhibited more potent in vitro anticancer activities with IC50 values of 0.7 ± 0.2, 30.0 ± 1.2, 18.3 ± 1.4 μM, respectively, which was superior to the positive control. In the further study, it was identified as the most potent inhibitor against two kinds of TS protein (for human TS and Escherichia coli TS, IC50 values: 0.62 and 0.47 μM, respectively) in the TS inhibition assay in vitro and the most potent antibacterial agents with MIC (minimum inhibitory concentrations) of 1.56-3.13 μg/mL against the tested four bacterial strains. Molecular docking and 3D-QSAR study supported that compound 18 can be selected as dual antitumor/antibacterial candidate in the future study.

Synthesis, biological evaluation and molecular modeling studies of Schiff bases derived from 4-methylsalicylic acid as potential immunosuppressive agents

A series of Schiff bases derived from 4-methylsalicylic acid (4a-4s) were synthesized, 14 of which (4a-4h, 4j-4l, 4n, 4q, and 4s) were reported for the first time. All the synthesized compounds were evaluated for their immunosuppressive activities for the

Synthesis, molecular modeling and biological evaluation of 2-(benzylthio)-5-aryloxadiazole derivatives as anti-tumor agents

A series of 2-(benzylthio)-5-aryloxadiazole derivatives have been designed and synthesized, and their biological activities are also evaluated for EGFR inhibitory activity. Fourteen compounds among the twenty compounds are reported for the first time. Their chemical structures are characterized by 1H NMR, MS, and elemental analysis. Anti-proliferative and EGFR inhibition assay results have demonstrated that compound 3e shows the most potent biological activity (IC50 = 1.09 μM for MCF-7 and IC50 = 1.51 μM for EGFR). Docking simulation has been performed to position compound 3e into the EGFR active site to determine the probable binding model, with an estimated binding free energy value of -10.7 kcal/mol. Compound 3e with potent inhibitory activity in tumor growth inhibition may be a promising anti-tumor leading compound for the further research.

Synthesis, biological evaluation and molecular docking studies of novel 2-(1,3,4-oxadiazol-2-ylthio)-1-phenylethanone derivatives

In present study, a series of new 2-(1,3,4-oxadiazol-2-ylthio)-1- phenylethanone derivatives (6a-6x) as potential focal adhesion kinase (FAK) inhibitors were synthesized. The bioassay assays demonstrated that compound 6i showed the most potent activity, which inhibited the growth of MCF-7 and A431 cell lines with IC50 values of 140 ± 10 nM and 10 ± 1 nM, respectively. Compound 6i also exhibited significant FAK inhibitory activity (IC50 = 20 ± 1 nM). Docking simulation was performed to position compound 6i into the active site of FAK to determine the probable binding model.

Synthesis, biological evaluation and molecular docking studies of 1,3,4-oxadiazole derivatives as potential immunosuppressive agents

A series of 1,3,4-oxadiazole derivatives derived from 4-methoxysalicylic acid or 4-methylsalicylic acid (6a-6z) have been first synthesized for their potential immunosuppressive activity. Among them, compound 6z displayed the most potent biological activity against lymph node cells (inhibition = 38.76% for lymph node cells and IC50 = 0.31 μM for PI3Kγ). The preliminary mechanism of compound 6z inhibition effects was also detected by flow cytometry (FCM) and the compound exerted immunosuppressive activity via inducing the apoptosis of activated lymph node cells in a dose dependent manner. Docking simulation was performed to position compound 6z into the PI3Kγ structure active site to determine the probable binding model.