Registration Number
0224U031896,
(0123U103623)
, R & D reports
Title
Design and synthesis of condensed heterocyclic systems based on 1,4-quinones, quinoxalines and 1,3,5-triazines
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Дизайн та синтез конденсованих гетероциклічних систем на основі 1,4-хінонів, хіноксалінів та 1,3,5-триазинів
Head
Polovkovych Sviatoslav V., Доктор хімічних наук
Registration Date
01-07-2024
Organization
Polovkovych Sviatoslav V.
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The purpose of this research is the molecular design and development of synthetic methods by using nucleophilic substitution, cyclocondensation and cycloaddition reactions to obtain new condensed and non-condensed carbo- and heterocyclic derivatives of quinones, quinoxalines and 1,3,5-triazines, followed by their chemical modification and search among them effective biologically active compounds. The development of new synthetic approaches with the use of multicomponent, single-reactor, tandem, and domino variants of chemical transformations in the synthesis of complex polycyclic heterocyclic compounds is expected. It is planned to develop methodologies for the design and synthesis of combinatorial libraries of compounds that can be used to create drugs and to obtain new materials. Development of methods for the synthesis of new exofunctionalized derivatives of 2,3-dichloro-naphthalene-1,4-dione, which are based on the reaction of nucleophilic substitution is planned. The molecular design of structural blocks and the synthesis of annelated polyheterocyclic derivatives of naphthalene-1,4-dione based on them using the cyclocondensation reaction are expected. To establish the regioselective character of 1,3-dipolar cycloaddition and Diels-Alder reaction of a series of dienes at the 2nd or 3rd position of 5-R-naphthalene-1,4-diones will be studied. Research on new transformations using naphthalene-1,4-diones and their derivatives as synthetic analogues of electron-deficient alkenes in the [3+2] cycloaddition reaction will gain further development. It is planned to carry out virtual and in vitro screening of antitumor, antithrombotic activity and antimicrobial action, to identify lead compounds and put forward hypotheses regarding possible mechanisms of their action.
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The main scientific result of the work is both new fundamental and applied knowledge that contributes to the development of theories of organic chemistry. Strategies for developing synthesis methods and studying new ways of using nucleophilic substitution, cyclocondensation, and cycloaddition reactions to obtain condensed and noncondensed carbo- and heterocyclic derivatives of quinones, quinoxalines, and triazines, followed by their chemical modification. New synthetic approaches using multicomponent, tandem, and domino variants of chemical transformations in the synthesis of heterocycles are proposed. Economically beneficial methods of synthesis of key structural blocks have been developed for quick and convenient preparation of compounds or materials based on them with given functions, taking into account modern concepts. A combinatorial library of chemical compounds that meet the criteria of drug like has been synthesized. The search for lead compounds with various types of biological activity, in particular with high antitumor activity, was carried out.
The obtained results will be used in the scientific environment to improve theoretical concepts, methodology and synthetic tools in both organic chemistry and related natural sciences. In the educational process, the results can be used in lecture educational courses on organic chemistry, in the educational disciplines "Medical Chemistry", "Bioorganic Chemistry", "Methods of Organic Synthesis", can be used to train highly qualified personnel. From a practical point of view, the results of the work will be of interest to companies in the chemical and pharmaceutical industries. The results of the research can be used by companies engaged in directed synthesis of organic compounds for biological research. Studies of the biological activity of the synthesized new heterocycles are being conducted jointly with the National Cancer Institute (USA) and the Institute of Cell Biology, NAS of Ukraine.
Product Description
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Polovkovych Sviatoslav V.
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2024-07-01
