401583-36-6

Upstream product

• 2349-67-9 2-Amino-5-mercapto-1,3,4-thiadiazole 
• 536-38-9 4-chlorobenzoylmethyl bromide 
• 99-91-2 para-chloroacetophenone 

Downstream Products

• 1220687-99-9 7-hydroxy-2-(p-chlorophenacylsulfanyl)-6-undecyl[1,3,4]thiadiazolo[3,2-a]benzimidazole-5,8-dione 
• 1378026-83-5 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[4-{5-(2-oxo-2-(p-chlorophenyl)ethylthio)-1,3,4-thiadiazol-2-yl}piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid 
• 1378026-95-9 C₁₀H₆Cl₂N₂OS₂ 
• 1378026-89-1 1-ethyl-6-fluoro-1,4-dihydro-7-[4-{5-(2-oxo-2-(p-chlorophenyl)ethylthio)-1,3,4-thiadiazol-2-yl}piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid 

Relevant academic research and scientific papers

Design, Synthesis, SAR and Molecular Modeling Studies of Novel Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives as Highly Potent Antimicrobial Agents

In this study, a novel series of phenyl substituted imidazo[2,1-b][1,3,4]thiadiazole derivatives were synthesized, characterized and explored for antibacterial activity against Gram-negative Escherichia coli, Gram-positive Staphylococcus aureus and Bacillus subtilis and antifungal activity against Candida albicans. Most of the synthesized compounds exhibited remarkable antimicrobial activities, some of which being ten times more potent than positive controls. The most promising compound showed excellent activity with MIC value of 0.03 μg/ml against both S. aureus and B. subtilis (MIC values of positive compound Chloramphenicol are 0.4 μg/ml and 0.85 μg/ml, respectively). Furthermore, structure-activity relationship was also investigated with the help of computational tools. Some physicochemical and ADME properties of the compounds were calculated too. The combination of electronic structure calculations performed at PM6 level and molecular docking simulations using Glide extra-precision mode showed that the hydrophobic nature of keto aryl ring with no electron withdrawing substituents at para position enhances activity while electron-donating substituents at the second aryl ring is detrimental to activity.

Synthesis and antibacterial, antimycobacterial and docking studies of novel N-piperazinyl fluoroquinolones

The present study deals with the synthesis of some novel fluoroquinolone derivatives as antibacterial and antitubercular agents. The titled compounds 7a-g and 8a-g were found to possess comparable or more potent activity than the reference compounds ciprofloxacin, norfloxacin, isoniazid and rifampicin. The synthesized compounds showed activity against S. aureus and C. bacterium, whereas poor activity was observed against P. aeruginosa and E. coli. These compounds were subjected to in vitro cytotoxicity study by MTT assay, and their selectivity index was calculated. Compound 7d was found to be the most efficient antimycobacterial agent amongst the series. Molecular docking revealed that synthesized derivatives and target proteins were actively involved in a binding pattern and had significant correlation with biological activity. Graphical abstract: Novel N-piperazinyl fluoroquinolone derivatives were synthesized and evaluated for their in vitro antibacterial, antimycobacterial and cytotoxic properties. Activity results were compared with the docking results. [Figure not available: see fulltext.]

Synthesis of 2-alkyl/arylalkyl/phenacylsul-fanyl-1 -thia-3,3, 10-triaza-pentaleno[ 1,2-b]naphthalene-4,9-dione

2,3-Dichloronaphthoquinone is condensed with 5-(alkyl/arylalkyl/ phenacylthio)-1,3,4-thiadiazol-2-amine in acetic acid to furnish a novel and hitherto unknown 2-alkyl/aralkyl/phenacylsulfanyl-1-thia-3,3a,10-triaza- pentaleno[1,2-b]naphthalene-4,9-dione. The structure of the synthesized compound has been confirmed by converting it into the corresponding reductive acetate. The structures of newly prepared compounds have been confirmed by analytical and spectral data.