SCH 442416

SCH 442416 is a potent, brain-permeable, and selective adenosine A2A receptor (A2AR) antagonist. It is selective for A2AR with a Ki value of 0.048 nM compared to 1,111, >10,000, and >10,000 nM for A1R, A2BR, and A3R, respectively, using human recombinant protein in a radioligand binding assay. It is also selective for A2AR (Ki = 0.50 nM) in rat cerebral membranes over A1R and A3R (Kis = 1,815 and >10,000, respectively). Biodistribution in rats demonstrates preferential uptake by liver, adrenal gland, kidney, and lungs, and by the striatum in the brain. SCH 442416 (10 µM) attenuates adenosine-mediated and A2AR agonist-induced arteriole dilation.Formal Name: 2-(2-furanyl)-7-[3-(4-methoxyphenyl)propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine. CAS Number: 316173-57-6. Molecular Formula: C20H19N7O2. Formula Weight: 389.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 15 mg/ml, DMF:PBS(pH7.2) (1:2): 0.33 mg/ml, DMSO: 10 mg/ml. lambdamax: 216, 229, 263 nm. SMILES: NC1=NC2=C(C=NN2CCCC3=CC=C(OC)C=C3)C4=NC(C5=CC=CO5)=NN14. InChi Code: InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24). InChi Key: AEULVFLPCJOBCE-UHFFFAOYSA-N.