Sonochemical Green Synthesis and In Silico Study of Pyrazolylpyridazine-3-thione Derivatives

被引：0

作者：

Gomktsyan, T. A. ^{[1
]}

Karapetyan, A. V. ^{[1
]}

Khachatryan, A. A. ^{[2
]}

Avakyan, D. D. ^{[2
]}

Hunanyan, L. S. ^{[2
]}

Vorskanyan, A. S. ^{[1
]}

Gharibyan, Y. A. ^{[1
]}

Gharibyan, T. K. ^{[1
]}

Harutyunyan, S. V. ^{[1
]}

Dovlatyan, M. V. ^{[1
]}

Yengoyan, A. P. ^{[1
,2
]}

Ghazaryan, E. A. ^{[1
]}

机构：

[1] Armenian Natl Agr Univ, Dept Pesticides Synth & Expertise, Yerevan 0009, Armenia

[2] Russian Armenian Univ, Inst Biomed & Pharm, Yerevan 0051, Armenia

来源：

RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2024年 / 94卷 / 05期

关键词：

6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine-3-thione; ultrasound; microwave; green chemistry; in silico study; nucleophilic substitution; HERBICIDAL ACTIVITY; PYRAZOLE DERIVATIVES; FUNGICIDAL ACTIVITY; INHIBITORS; ULTRASOUND;

D O I：

10.1134/S1070363224050050

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

For the first time, eco-friendly ultrasound-assisted synthesis of a series of S-substituted 6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine-3(2H)-thione derivatives based on 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine was performed. The reaction times, temperatures, and yields of reaction products were compared with MW-assisted and conventional methods. An in silico study to predict the biological activity of the studied compounds was carried out. Physicochemical and pharmacokinetic properties, ADMET properties and bioavailability index were calculated.

引用

页码：1047 / 1054

页数：8

共 34 条

[1] Synthesis, Antibacterial and Antioxidant Properties of Pyrazolylpyridazines
Ather, Abdul Qayuum
Chaudhry, Faryal
Khan, Muhammad Naeem
Silicz Bueno, Eliana Aparecida
Khan, Misbahul Ain
Aslam, Noreen
Khan, Khalid M.
Athar, Muhammad Makshoof
Munawar, Munawar Ali
Ashraf, Muhammad
Ejaz, Syeda Abida
[J]. ASIAN JOURNAL OF CHEMISTRY, 2013, 25 (14) : 7743 - 7748
[2] bcpcpesticidecompendium.org, Classification of Pesticides
[3] Ultrasound in heterocycles chemistry
Cella, Rodrigo
Stefani, Helio A.
[J]. TETRAHEDRON, 2009, 65 (13) : 2619 - 2641
[4] Synthesis and fungicidal activity against Rhizoctonia solani of 2-alkyl (alkylthio)-5-pyrazolyl-1,3,4-oxadiazoles (thiadiazoles)
Chen, HS
Li, ZM
Han, YF
[J]. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2000, 48 (11) : 5312 - 5315
[5] Synthesis and Biological Activities of Novel Pyrazole Oxime Derivatives Containing a 2-Chloro-5-thiazolyl Moiety
Dai, Hong
Li, Yong-Qiang
Du, Ding
Qin, Xue
Zhang, Xin
Yu, Hai-Bo
Fang, Jian-Xin
[J]. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2008, 56 (22) : 10805 - 10810
[6] SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Daina, Antoine
Michielin, Olivier
Zoete, Vincent
[J]. SCIENTIFIC REPORTS, 2017, 7
[7] Ultrasound for Drug Synthesis: A Green Approach
Draye, Micheline
Chatel, Gregory
Duwald, Romain
[J]. PHARMACEUTICALS, 2020, 13 (02)
[8] A Collaborative, Wiki-Based Organic Chemistry Project Incorporating Free Chemistry Software on the Web
Evans, Michael J.
Moore, Jeffrey S.
[J]. JOURNAL OF CHEMICAL EDUCATION, 2011, 88 (06) : 764 - 768
[9] PREDICTION OF THE BIOLOGICAL ACTIVITY SPECTRA OF ORGANIC COMPOUNDS USING THE PASS ONLINE WEB RESOURCE
Filimonov, D. A.
Lagunin, A. A.
Gloriozova, T. A.
Rudik, A. V.
Druzhilovskii, D. S.
Pogodin, P. V.
Poroikov, V. V.
[J]. CHEMISTRY OF HETEROCYCLIC COMPOUNDS, 2014, 50 (03) : 444 - 457
[10] Ghamaryan V., 2021, 27 S BIOINF COMP AID, P58, DOI [10.18097/BCADD2021, DOI 10.18097/BCADD2021]

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