Aziridinyl-substituted benzo-1,4-quinones: A preliminary investigation on the theoretical and experimental studies of their structure and spectroscopic properties.
The detailed structure, chemical and spectroscopic properties of the derivatives of the selected 2,5-bis(1-aziridinyl)-benzo-1,4-quinone conformers were studied by applying quantum chemical and experimental methods. The relationship between the structure and chemical activity of the selected 3 bifunctional bioreductive quinonic anticancer agents - aziridinyl benzoquinones (AzBQ compounds) was obtained. The results obtained showed that the position of aziridine rings influenced by the chemical activity of the investigated compound were more significant than the substitutions of the benzene ring of the AzBQ compounds. The solvents influencing this activity were obtained, too.
Vilnius University, Instituteof Biochemistry, Sauletekio av. 7, Vilnius LT-10222, Lithuania. Electronic address: Jonas.Sarlauskas@bchi.vu.lt.
Jonas
J
Šarlauskas
Vilnius University, Institute of Theoretical Physics and Astronomy, Sauletekio av. 3, Vilnius, LT-10222, Lithuania. Electronic address: Jelena.Tamuliene@tfai.vu.lt.
Jelena
J
Tamulienė
Vilnius University, Instituteof Biochemistry, Sauletekio av. 7, Vilnius LT-10222, Lithuania.
Narimantas
N
Čėnas
D001388:Aziridines / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006244:Hardness; D008958:Models, Molecular; D008968:Molecular Conformation; D055620:Optical Phenomena; D011809:Quinones / Q000138:chemical synthesis / Q000737:chemistry*; D013056:Spectrophotometry, Ultraviolet; D013816:Thermodynamics; D014961:X-Ray Diffraction
D001388:Aziridines; D011809:Quinones; C033132:aziridine