Quantum-chemical evaluation of basicity of acridine derivatives
Journal Article
·
· Pharmaceut. Chem. J.; (United States)
OSTI ID:6998325
It has been found that the antibacterial effect of aminoacridines increases with the increase of the degree of their cationic ionization, while changes in the structure are relatively minor as concern the activity. The authors study the possible determination of a dependence between the pK of monosubstituted acridines on the position of substituent in their molecules. The theory of perturbations of molecular orbitals in its simplest variation was used. A comparison is shown of theoretical and experimental data on pK of monoaminoacridines.
- Research Organization:
- Kharkov Pharmaceutical Institute (USSR)
- OSTI ID:
- 6998325
- Journal Information:
- Pharmaceut. Chem. J.; (United States), Journal Name: Pharmaceut. Chem. J.; (United States) Vol. 19:10; ISSN PCJOA
- Country of Publication:
- United States
- Language:
- English
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Mon Oct 31 23:00:00 EST 1994
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·
OSTI ID:6875131
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Sun Nov 09 23:00:00 EST 1986
· J. Org. Chem. USSR (Engl. Transl.); (United States)
·
OSTI ID:6036292
Related Subjects
550200* -- Biochemistry
59 BASIC BIOLOGICAL SCIENCES
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ACRIDINES
AMINATION
ANTI-INFECTIVE AGENTS
AROMATICS
ATOMIC MODELS
AZAARENES
AZINES
BIOCHEMISTRY
BIOLOGICAL EFFECTS
CHEMICAL REACTIONS
CHEMISTRY
DRUGS
ELECTRON DENSITY
ELECTRONIC STRUCTURE
HETEROCYCLIC COMPOUNDS
IONIZATION POTENTIAL
MATHEMATICAL MODELS
MECHANICS
MOLECULAR MODELS
MOLECULAR ORBITAL METHOD
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PERTURBATION THEORY
PH VALUE
PYRIDINES
QUANTUM MECHANICS
59 BASIC BIOLOGICAL SCIENCES
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ACRIDINES
AMINATION
ANTI-INFECTIVE AGENTS
AROMATICS
ATOMIC MODELS
AZAARENES
AZINES
BIOCHEMISTRY
BIOLOGICAL EFFECTS
CHEMICAL REACTIONS
CHEMISTRY
DRUGS
ELECTRON DENSITY
ELECTRONIC STRUCTURE
HETEROCYCLIC COMPOUNDS
IONIZATION POTENTIAL
MATHEMATICAL MODELS
MECHANICS
MOLECULAR MODELS
MOLECULAR ORBITAL METHOD
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PERTURBATION THEORY
PH VALUE
PYRIDINES
QUANTUM MECHANICS