78680-93-0

Upstream product

• 49633-28-5 1,2-bis-(p-methylphenylsulfonamido)-benzene 
• 98-59-9 p-toluenesulfonyl chloride 
• 1575-37-7 4-Bromo-benzene-1,2-diamine 
• 95-54-5 1,2-diamino-benzene 
• 875-51-4 4-Bromo-2-nitroaniline 

Downstream Products

• 78692-32-7 7-bromo-2-(4-tolyl)-4-(4-tolyl)sulfonamido-1,2,3-benzoxathiazole 2-oxide 
• 113269-05-9 N,N'-(4-bromo-5-nitro-1,2-phenylene)bis-4-methylbenzenesulfonamide 
• 113269-07-1 4-bromo-5-nitrobenzene-1,2-diamine 
• 113269-09-3 7-bromo-6-nitroquinoxaline 

Relevant academic research and scientific papers

Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT

Fragment-based lead discovery was applied to tRNA-guanine transglycosylase, an enzyme modifying post-transcriptionally tRNAs in Shigella, the causative agent of shigellosis. TGT inhibition prevents translation of Shigella's virulence factor VirF, hence reducing pathogenicity. One discovered fragment opens a transient subpocket in the preQ1-recognition site by pushing back an aspartate residue. This step is associated with reorganization of further amino acids structurally transforming a loop adjacent to the recognition site by duplicating the volume of the preQ1-recognition pocket. We synthesized 6-carboxamido-, 6-hydrazido-, and 4-guanidino-benzimidazoles to target the opened pocket, including a dihydro-imidazoquinazoline with a propyn-1-yl exit vector pointing into the transient pocket and displacing a conserved water network. MD simulations and hydration-site analysis suggest water displacement to contribute favorably to ligand binding. A cysteine residue, exclusively present in bacterial TGTs, serves as gatekeeper of the transient subpocket. It becomes accessible upon pocket opening for selective covalent attachment of electrophilic ligands in eubacterial TGTs.

Benzothiadiazole compound and preparation method and use thereof

The present invention relates to a benzothiadiazole compound represented by the following formula I, and a preparation method and use thereof, the benzothiadiazole compound has the biological activityof inhibiting protein-tyrosine-phosphatase SHP2, can be used as a tool compound to study the biological functional relevance of the protein-tyrosine-phosphatase SHP2 in a cell signal transduction process, and provides a new means for prevention and treatment of cancer and metabolic and immune diseases.

THE FOUR 6-HALO-7-NITROQUINOXALINES

The study of relative nucleofugicities of nitro and halogen in quinoxalines required the synthesis of the four 6-halo-7-nitroquinoxalines 2a-d.The fluoro-, chloro- and bromo-derivatives were made from the commercially available or readily accessible 1,2-diamino-4-halobenzenes, using the nitration of the corresponding p-toluenesulfonamides.This scheme failed in the case of the iodo compound because of extensive nitro-deiodination.The synthesis of 6-iodo-7-nitroquinoxaline was finally achieved from m-fluoroiodobenzene by taking advantage of the high reactivity of fluorine, compared to iodine, in 2,4-dinitrohalobenzenes.

OXIDATION OF AROMATIC BIS-AMIDES BY TALLIUM (III) TRIFLUOROACETATE

Aromatic 1,2-bisamides undergo thallium (III) promoted oxidative intramolecular cyclization to generate new 5-membered heterocyclic rings.Formation of para-quinone was shown to be a minor pathway in one case.