Patane, Emanuele; Pittala, Valeria; Guerrera, Francesco; Salerno, Loredana; Romeo, Giuseppe; Siracusa, Maria Angela; Russo, Filippo; Manetti, Fabrizio; Botta, Maurizio; Mereghetti, Ilario; Cagnotto, Alfredo; Mennini, Tiziana published the artcile< Synthesis of 3-Arylpiperazinylalkylpyrrolo[3,2-d]pyrimidine-2,4-dione Derivatives as Novel, Potent, and Selective α1-Adrenoceptor Ligands>, COA of Formula: C7H10N2O2, the main research area is pyrrolopyrimidine dione piperazinylalkyl preparation selective adrenoceptor ligand QSAR.
Novel compounds I [X = (CH2)2, (CH2)3; R1 = H, Ph, 2-ClC6H4, 4-MeC6H4, etc.; R2 = 2-MeOC6H4, 4-MeOC6H4, 2-ClC6H4], characterized by a pyrrolo[3,2-d]pyrimidine-2,4-dione (PPm) system connected through an alkyl chain to a phenylpiperazine (PPz) residue, were designed as structural analogs of the α1-adrenoceptor (α1-AR) ligand RN5. In this new series of derivatives, the indole nucleus of RN5 was replaced by an arylpyrrolo moiety. Several structural modifications were performed on the PPm and PPz moieties and the connecting alkyl chain. These compounds were synthesized and tested in radioligand binding experiments where many of them showed interesting binding profiles. Some compounds, including I [X = (CH2)2; R1 = 2-ClC6H4, 4-ClC6H4, 4-MeC6H4; R2 = 2-ClC6H4], displayed substantial α1-AR selectivity with respect to serotoninergic 5-HT1A and dopaminergic D1 and D2 receptors. Two different mol. modeling approaches (pharmacophoric mapping and quant. structure-affinity relationship anal.) have been applied to rationalize, at a quant. level, the relationships between affinity toward α1-ARs and the structure of the studied compounds Several QSAR models have been reported and described, accounting for the influence of various mol. portions on such affinity data.
Journal of Medicinal Chemistry published new progress about Pharmacophores. 252932-48-2 belongs to class esters-buliding-blocks, and the molecular formula is C7H10N2O2, COA of Formula: C7H10N2O2.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics