Kalcic, Filip published the artcilePolysubstituted Pyrimidines as mPGES-1 Inhibitors: Discovery of Potent Inhibitors of PGE2 Production with Strong Anti-inflammatory Effects in Carrageenan-Induced Rat Paw Edema, SDS of cas: 849062-21-1, the publication is ChemMedChem (2020), 15(15), 1398-1407, database is CAplus and MEDLINE.
We report an extensive structure-activity relationship optimization of polysubstituted pyrimidines that led to the discovery of 5-butyl-4-(4-benzyloxyphenyl)-6-phenylpyrimidin-2-amine, and its difluorinated analog. These compounds are sub-micromolar inhibitors of PGE2 production (IC50 as low as 12 nM). In order to identify the mol. target of anti-inflammatory pyrimidines, we performed extensive studies including enzymic assays, homol. modeling and docking. The difluorinated analog simultaneously inhibits two key enzymes of the arachidonic acid cascade, namely mPGES-1 and COX-2, with mPGES-1 inhibition being the principal mechanism of action. Other pyrimidines studied are potent mPGES-1 inhibitors with no observed inhibition of COX-1/2 enzymes. Moreover, the two most potent compounds proved to be significantly effective in vivo in a model of acute inflammation, suppressing carrageenan-induced rat paw edema by 36 and 46%. The promising results of this study warrant further preclin. evaluation of selected anti-inflammatory candidates.
ChemMedChem published new progress about 849062-21-1. 849062-21-1 belongs to ethers-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (4-((3-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid, and the molecular formula is C15H16BClO3, SDS of cas: 849062-21-1.
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https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem