Sun, Jufeng published the artcileTargeting the S100A2-p53 Interaction with a Series of 3,5-Bis(trifluoromethyl)benzenesulfonamides: Synthesis and Cytotoxicity, COA of Formula: C8H11NO, the publication is ChemMedChem (2021), 16(18), 2851-2863, database is CAplus and MEDLINE.
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 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C9H20Cl2Si, COA of Formula: C8H11NO.
Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem