1620809-35-9

Upstream product

• 706791-83-5 3-amino-5-bromobenzoic acid methyl ester 
• 42237-85-4 3-amino-5-bromobenzoic acid 
• 618-89-3 methyl 3-bromobenzoate 
• 1025718-78-8 methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 

Downstream Products

• 1620809-39-3 3-azido-5-bromobenzyl alcohol 
• 1620809-40-6 1-azido-3-azidomethyl-5-bromobenzene 

Relevant academic research and scientific papers

Synthesis of diverse 3-azido-5-(azidomethyl)benzene derivatives via formal C-H azidation and functional group-selective transformations

3-Azido-5-(azidomethyl)benzene derivatives are useful compounds for preparing diverse bistriazole compounds and photoaffinity probes for target identification of bioactive compounds. To more easily synthesize a diverse range of diazido compounds, a facile

Structure-Guided Modification of Heterocyclic Antagonists of the P2Y14 Receptor

The P2Y14 receptor (P2Y14R) mediates inflammatory activity by activating neutrophil motility, but few classes of antagonists are known. We have explored the structure-activity relationship of a 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-5-(aryl)benzoic acid antagonist scaffold, assisted by docking and molecular dynamics (MD) simulation at a P2Y14R homology model. A computational pipeline using the High Throughput MD Python environment guided the analogue design. Selection of candidates was based upon ligand-protein shape and complementarity and the persistence of ligand-protein interactions over time. Predictions of a favorable substitution of a 5-phenyl group with thiophene and an insertion of a three-methylene spacer between the 5-aromatic and alkyl amino moieties were largely consistent with empirical results. The substitution of a key carboxylate group on the core phenyl ring with tetrazole or truncation of the 5-aryl group reduced affinity. The most potent antagonists, using a fluorescent assay, were a primary 3-aminopropyl congener 20 (MRS4458) and phenyl p-carboxamide 30 (MRS4478).

Formal C-H-azidation-based shortcut to diazido building blocks for the versatile preparation of photoaffinity labeling probes

Short synthetic routes to diazido building blocks with different connectable groups were established on the basis of the sequential iridium-catalyzed C-H borylation and copper-catalyzed azidation of 1,3-disubstituted benzenes, followed by diverse azido-fr