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 Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines, the main research direction is benzenesulfonyl fused azolylbenzoxazepine preparation; HER2 inhibition antitumor SAR pyroptosis induction docking; Antitumour; HER2 receptor; benzoxazepines; molecular modelling; pyroptosis.Safety of 2,6-Dichloropurine.
A series of 11 new substituted 1,5-dihydro-4,1-benzoxazepine derivatives I [X = Y = Z = CH, N; R = H, Cl, Me2N, etc.; R1 = H, Cl; R2 = 4-Me, 4-O2N, 4-O2N] were synthesized to study the influence of the Me group in the 1-(benzenesulfonyl) moiety, the replacement of the purine by the benzotriazole bioisosteric analog, and the introduction of a bulky substituent at position 6 of the purine, on the biol. effects. Their inhibition against isolated HER2 was studied and the structure-activity relationships were confirmed by mol. modeling studies. The most potent compound against isolated HER2 was I [X = Y = N, Z = CH, R = C6H5S, R1 = Cl, R2 = 4-O2N] with an IC50 of 7.31μM. The effects of the target compounds on cell proliferation was investigated. The most active compound was I [X = Y = N, Z = CH, R = R1 = Cl, R2 = 4-Me] against all the tumor cell lines studied (IC50 0.42-0.86μM) does not produce any modification in the expression of pro-caspase 3, but increased the caspase 1 expression and promoted pyroptosis.
《Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(2,6-Dichloropurine)Safety of 2,6-Dichloropurine.
Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem