Sun, Jufeng; Ambrus, Joey I.; Russell, Cecilia C.; Baker, Jennifer R.; Cossar, Peter J.; Pirinen, Melanie J.; Sakoff, Jennette A.; Scarlett, Christopher J.; McCluskey, Adam published the artcile< Targeting the S100A2-p53 Interaction with a Series of 3,5-Bis(trifluoromethyl)benzenesulfonamides: Synthesis and Cytotoxicity>, Safety of 4-Bromobenzylamine, the main research area is benzenesulfonamide aminoalkyl trifluoromethyl preparation antitumor pancreatic cancer; S100A2; focuse libraries; p53; pancreatic cancer; protein-protein interaction.
In silico approaches identified N-(6-((4-bromobenzyl)amino)hexyl)-3,5-bis(trifluoromethyl)benzenesulfonamide I [X = (CH2)4; R1 = 4-BrC6H4; R2 = H] as a potential inhibitor of the S100A2-p53 protein-protein interaction, a validated pancreatic cancer drug target. Subsequent cytotoxicity screening revealed it to be a 2.97μM cell growth inhibitor of the MiaPaCa-2 pancreatic cell line. This is in keeping with the hypothesis that inhibiting this interaction would have an anti-pancreatic cancer effect with S100A2, the validated PC drug target. A combination of focused library synthesis [24 compounds I (X = nothing, CH2, CH2CH2; R1 = 4-BrC6H4, 3,4-Cl2C6H3, 1-naphthyl, etc.; R2 = H, Me)] and cytotoxicity screening identified a Pr alkyl diamine spacer as optimal; the nature of the terminal Ph substituent had limited impact on observed cytotoxicity, whereas N-methylation was detrimental to activity. In total 15 human cancer cell lines were examined, with most analogs showing broad-spectrum activity. Near uniform activity was observed against a panel of six pancreatic cancer cell lines: MiaPaCa-2, BxPC-3, AsPC-1, Capan-2, HPAC and PANC-1. In all cases there was good to excellent correlation between the predicted docking pose in the S100A2-p53 binding groove and the observed cytotoxicity, especially in the pancreatic cancer cell line with high endogenous S100A2 expression. This supports S100A2 as a pancreatic cancer drug target.
ChemMedChem published new progress about Amino amides Role: ADV (Adverse Effect, Including Toxicity), PAC (Pharmacological Activity), PRP (Properties), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Safety of 4-Bromobenzylamine.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary