Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 5451-40-1, is researched, Molecular C5H2Cl2N4, about Promising 2,6,9-trisubstituted purine derivatives for anticancer compounds: synthesis, 3D-QSAR, and preliminary biological assays, the main research direction is trisubstituted purine regioselective preparation SAR QSAR antitumor apoptosis human; 3D-QSAR; apoptosis; cancer; cell cycle; cytotoxicity; purine derivatives.Reference of 2,6-Dichloropurine.
Two series of 2,6,9-trisubstituted purine derivatives I [R1 = Et, n-Bu, n-hexyl, etc.; R2 = cyclopentyl, cyclohexyl, cycloheptanyl, etc.] and II [R3 = 4-CF3OC6H4, 4-phenyl-piperidin-1-yl, 4-phenyl-piperazin-1-yl, 4-(4-chlorophenyl)piperazin-1-yl, etc.; R4 = Cl, 5-(nitropyridin-2-yl)piperazin-1-yl, 4-(pyrazin-2-yl)piperazin-1-yl, etc.; R5 = n-pentyl, n-hexyl, cyclopentyl] were synthesized and evaluated for their prospective role as antitumor compounds Compounds I and II were tested for their in vitro cell toxicity on seven cancer cells lines and one non-neoplastic cell line. Structural requirements for antitumor activity on two different cancer cell lines were analyzed with SAR and 3D-QSAR. The 3D-QSAR models showed that steric properties could better explain the cytotoxicity of compounds than electronic properties (70% and 30% of contribution, resp.). From this anal., conclusion was that arylpiperazinyl system connected at position 6 of the purine ring was beneficial for cytotoxic activity, while the use of bulky systems at position C-2 of the purine was not favorable. Compound II [R3 = 4-(4-nitrophenyl)piperazin-1-yl; R4 = Cl; R5 = cyclopentyl] was found to be an effective potential agent when compared with a currently marketed drug, cisplatin, in four out of the seven cancer cell lines tested. Compound II [R3 = 4-(4-nitrophenyl)piperazin-1-yl; R4 = Cl; R5 = cyclopentyl] showed the highest potency, unprecedented selectivity and complied with all the Lipinski rules. Finally, it was demonstrated that compound II [R3 = 4-(4-nitrophenyl)piperazin-1-yl; R4 = Cl; R5 = cyclopentyl] induced apoptosis and caused cell cycle arrest at the S-phase on HL-60 cells.
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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem