2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone synthon for some new annelated 1,2,3-selena/thiadiazoles and 2H-diazaphospholes with anticipated biological activity and quantum chemical calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F23%3A00569361" target="_blank" >RIV/61389013:_____/23:00569361 - isvavai.cz</a>
Alternative codes found
RIV/00216305:26620/23:PU148284
Result on the web
<a href="https://www.mdpi.com/1420-3049/28/3/1280" target="_blank" >https://www.mdpi.com/1420-3049/28/3/1280</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/molecules28031280" target="_blank" >10.3390/molecules28031280</a>
Alternative languages
Result language
angličtina
Original language name
2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone synthon for some new annelated 1,2,3-selena/thiadiazoles and 2H-diazaphospholes with anticipated biological activity and quantum chemical calculations
Original language description
A convenient and efficient synthetic protocol for the new selenadiazole. Thiadiazole and diazaphosphole derivatives incorporating a pyridazine moiety originating from 4-(4-aminophenyl)-4-oxobutanoic acid (1) were described. All newly synthesized compounds were evaluated for their antimicrobial activity using the disk diffusion method, and their cytotoxicity was evaluated against brine shrimp lethality bioassay. Using density functional theory (DFT), the frontier molecular orbital (FMO) and molecular electrostatic potential (MEPS) were studied to estimate the chemical reactivity and kinetic stability of each structure. Therefore, global descriptor parameters like electronegativity (χ), chemical hardness (η), and global softness (σ) were calculated. Consequently, the attained results were compared with the experimental data of the biological activity of the studied structures.n
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10404 - Polymer science
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Molecules
ISSN
1420-3049
e-ISSN
1420-3049
Volume of the periodical
28
Issue of the periodical within the volume
3
Country of publishing house
CH - SWITZERLAND
Number of pages
17
Pages from-to
1280
UT code for WoS article
000930079400001
EID of the result in the Scopus database
2-s2.0-85147894222