Russian Journal of Organic Chemistry最新文献_第2页

Synthesis and Properties of 1,3-Disubstituted Ureas and Their Isosteric Analogs Containing Polycyclic Fragments. XXII. Synthesis and Properties of 1,1'-(Hexane-1,6-diyl)bis[3-(3-hydroxy/3-(hydroxymethyl)-5-methyl/5,7-dimethyladamantan-1-yl)urea] 含多环片段的1,3-二取代脲及其等构类似物的合成与性质第二十二。1,1′-（己烷-1,6-二基）双[3-（3-羟基/3-（羟甲基）-5-甲基/5,7-二甲基ladamantan-1-基）尿素]的合成与性能

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428026602700

B. P. Gladkikh, V. S. D’yachenko, Ya. P. Kuznetsov, E. A. Ivleva, Yu. N. Klimochkin, G. M. Butov

引用次数: 0

Computational Insights, Spectral Profiling, and Bioactivity Exploration of Hybrid Pyridine–Cinnamate Scaffolds 吡啶-肉桂酸杂化支架的计算分析、光谱分析和生物活性探索

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428025604777

K. Patel, S. Thakur, K. Agrawal, S. Mittal

{"title":"Computational Insights, Spectral Profiling, and Bioactivity Exploration of Hybrid Pyridine–Cinnamate Scaffolds","authors":"K. Patel, S. Thakur, K. Agrawal, S. Mittal","doi":"10.1134/S1070428025604777","DOIUrl":"10.1134/S1070428025604777","url":null,"abstract":"The global rise in bacterial resistance to current antibiotics highlights the urgent demand for new, effective, and safer antibacterial agents. Accordingly, this work deals with the synthesis of new pyridine derivatives 6a–6j bearing a cinnamate moiety and evaluates their antimicrobial activity. All prepared pyridine–cinnamate conjugates 6a–6j were characterized by various spectroscopic methods, such as 1H NMR, LC-MS, and IR spectroscopy. The title compounds were tested via an in vitro antimicrobial assay against Gram-positive (Staphylococcus aureus, Bacillus subtilis, Streptococcus pneumoniae) and Gram-negative bacteria (Escherichia coli, Pseudomonas spp., Klebsiella pneumoniae). Notably, compounds 6a and 6b showed the best inhibitory activity. Molecular docking studies were conducted to evaluate the binding affinities of pyridine derivatives 6a–6j against target proteins from six clinically relevant bacterial species: Staphylococcus aureus (PDB ID: 3PBR), Bacillus subtilis (PDB ID: 7BN9), Streptococcus pneumoniae (PDB ID: 5UJ4), Escherichia coli (PDB ID: 4BJP), Pseudomonas spp. (PDB ID: 7O4B), and Klebsiella pneumoniae (PDB ID: 5OIZ). Compound 6a demonstrated consistently strong binding affinities across all target proteins, with values ranging from –6.9 to –8.1 kcal/mol. DFT calculations at the M06-2X/6-31+G(d,p) level provided key electronic parameters for the pyridine derivatives 6a–6j, showing that the HOMO–LUMO gaps ranged from 5.24 to 6.56 eV. Absorption, Distribution, Metabolism, and Excretion (ADME) profiles for the synthesized molecules were computed using SwissADME. Collectively, these findings demonstrate the promising antimicrobial potential of the synthesized derivatives, positioning them as valuable leads for further optimization and therapeutic exploration.","PeriodicalId":766,"journal":{"name":"Russian Journal of Organic Chemistry","volume":"62 6","pages":""},"PeriodicalIF":0.8,"publicationDate":"2026-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of Polyfunctional Ligands Derived from 1,3-Bis(substituted phenyl)adamantanes 1,3-二（取代苯基）金刚烷衍生物多官能配体的合成

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428026602980

E. A. Ivleva, M. S. Zaborskaya, Yu. N. Klimochkin

引用次数: 0

Synthesis of Two-Ring Amines and Aziridines from Cyclohexanone Homocondensation Products 环己酮同缩合产物合成双环胺和叠氮醚

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428026602785

B. V. Vazhenin, A. V. Vologzhanina, A. D. Volodin, P. V. Dorovatovsky, G. E. Lisnik, A. A. Golovanov

引用次数: 0

Synthesis, Characterization, Antimicrobial Activity, Cytotoxicity, and Molecular Docking Studies of 3-[(1-Phenyl-1H-1,2,3-triazol-4-yl)methoxy]adamantan-1-amine Derivatives 3-[（1-苯基- 1h -1,2,3-三唑-4-基）甲氧基]金刚烷-1-胺衍生物的合成、表征、抗菌活性、细胞毒性和分子对接研究

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S107042802560425X

M. Nagu, B. Venkateswarlu

{"title":"Synthesis, Characterization, Antimicrobial Activity, Cytotoxicity, and Molecular Docking Studies of 3-[(1-Phenyl-1H-1,2,3-triazol-4-yl)methoxy]adamantan-1-amine Derivatives","authors":"M. Nagu, B. Venkateswarlu","doi":"10.1134/S107042802560425X","DOIUrl":"10.1134/S107042802560425X","url":null,"abstract":"A series of novel 1,2,3-triazole–adamantane hybrids were synthesized in 65–80% yields via copper(I)-catalyzed azide–alkyne cycloaddition (CuAAC). The structures of the target compounds were comprehensively characterized using multinuclear NMR, IR, and mass spectrometry, alongside elemental analysis. Compounds 4e, 4f, and 4i at a concentration of 100 μg/mL exhibited potent antibacterial activity against six distinct bacterial strains. Antifungal evaluation against four fungal strains revealed that compounds 4f and 4i possess robust broad-spectrum fungicidal efficacy, as evidenced by their high mean zone of inhibition values. Furthermore, in vitro cytotoxicity assays against MCF-7, PC-3, and HeLa human cancer cell lines demonstrated that derivatives 4b, 4f, 4i, and 4k markedly suppress cancer cell viability. In alignment with the experimental findings, molecular docking simulations indicated that compound 4f consistently possesses the highest binding affinities against four key oncological protein targets: DHFR (–9.3 kcal/mol), enoyl reductase (–10.0 kcal/mol), Topo IIα (–9.2 kcal/mol), and ERα (–10.1 kcal/mol). Structural analysis of the docking poses revealed that 4f establishes a network of critical hydrogen bonds and favorable nonpolar interactions within the binding pockets of all investigated proteins, highlighting its potential as a prominent multitarget anticancer lead.","PeriodicalId":766,"journal":{"name":"Russian Journal of Organic Chemistry","volume":"62 6","pages":""},"PeriodicalIF":0.8,"publicationDate":"2026-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927535","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational Insights, Spectral Profiling, and Bioactivity Exploration of Hybrid Pyridine–Cinnamate Scaffolds 吡啶-肉桂酸杂化支架的计算分析、光谱分析和生物活性探索

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428025604777

K. Patel, S. Thakur, K. Agrawal, S. Mittal

{"title":"Computational Insights, Spectral Profiling, and Bioactivity Exploration of Hybrid Pyridine–Cinnamate Scaffolds","authors":"K. Patel, S. Thakur, K. Agrawal, S. Mittal","doi":"10.1134/S1070428025604777","DOIUrl":"10.1134/S1070428025604777","url":null,"abstract":"The global rise in bacterial resistance to current antibiotics highlights the urgent demand for new, effective, and safer antibacterial agents. Accordingly, this work deals with the synthesis of new pyridine derivatives 6a–6j bearing a cinnamate moiety and evaluates their antimicrobial activity. All prepared pyridine–cinnamate conjugates 6a–6j were characterized by various spectroscopic methods, such as 1H NMR, LC-MS, and IR spectroscopy. The title compounds were tested via an in vitro antimicrobial assay against Gram-positive (Staphylococcus aureus, Bacillus subtilis, Streptococcus pneumoniae) and Gram-negative bacteria (Escherichia coli, Pseudomonas spp., Klebsiella pneumoniae). Notably, compounds 6a and 6b showed the best inhibitory activity. Molecular docking studies were conducted to evaluate the binding affinities of pyridine derivatives 6a–6j against target proteins from six clinically relevant bacterial species: Staphylococcus aureus (PDB ID: 3PBR), Bacillus subtilis (PDB ID: 7BN9), Streptococcus pneumoniae (PDB ID: 5UJ4), Escherichia coli (PDB ID: 4BJP), Pseudomonas spp. (PDB ID: 7O4B), and Klebsiella pneumoniae (PDB ID: 5OIZ). Compound 6a demonstrated consistently strong binding affinities across all target proteins, with values ranging from –6.9 to –8.1 kcal/mol. DFT calculations at the M06-2X/6-31+G(d,p) level provided key electronic parameters for the pyridine derivatives 6a–6j, showing that the HOMO–LUMO gaps ranged from 5.24 to 6.56 eV. Absorption, Distribution, Metabolism, and Excretion (ADME) profiles for the synthesized molecules were computed using SwissADME. Collectively, these findings demonstrate the promising antimicrobial potential of the synthesized derivatives, positioning them as valuable leads for further optimization and therapeutic exploration.","PeriodicalId":766,"journal":{"name":"Russian Journal of Organic Chemistry","volume":"62 6","pages":""},"PeriodicalIF":0.8,"publicationDate":"2026-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Alkylation of Oxazolo[3,2-c]pyrimidine-5-thiones with Bromoacetic Acid and Its Derivatives 恶唑[3,2-c]嘧啶-5-硫酮与溴乙酸及其衍生物的烷基化反应

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428026602918

A. K. Shiryaev, U. M. Aristova, A. S. Nechushkina

引用次数: 0

Synthesis and Chemical Modification of Phenyl Glycidyl Ether 苯基缩水甘油醚的合成及化学改性

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428025604029

M. I. Shatirova, M. E. Gasanova

引用次数: 0

Fe3O4@SiO2Pr@Xylose as a Highly Efficient Sustainable Nanocatalyst for the Solvent-Free Synthesis of Diindolylmethane Derivatives Fe3O4@SiO2Pr@木糖作为无溶剂合成二吲哚基甲烷衍生物的高效可持续纳米催化剂

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S107042802560500X

S. H. Heidari, L. Zare Fekri, M. Mokhtary

引用次数: 0

Synthesis, Mesomorphic Behavior, and Thermal Characterization of New 4-n-Alkoxy-3-methoxybenzoic Acid-Based Azoesters: Influence of Alkyl Chain Length and Lateral Substitution 新型4-n-烷氧基-3-甲氧基苯甲酸偶氮酯的合成、介构行为和热表征：烷基链长和侧取代的影响

IF 0.8 4区化学

Russian Journal of Organic Chemistry Pub Date : 2026-09-11 DOI: 10.1134/S1070428025604546

B. Mevada, U. Bhoya

{"title":"Synthesis, Mesomorphic Behavior, and Thermal Characterization of New 4-n-Alkoxy-3-methoxybenzoic Acid-Based Azoesters: Influence of Alkyl Chain Length and Lateral Substitution","authors":"B. Mevada, U. Bhoya","doi":"10.1134/S1070428025604546","DOIUrl":"10.1134/S1070428025604546","url":null,"abstract":"A new homologous series of azoester derivatives 3a–3l was synthesized via Steglich esterification of 4-n-alkoxy-3-methoxybenzoic acids with 4-[(3,4-dichlorophenyl)diazenyl]phenol. Their mesomorphic and thermal properties were investigated using polarizing optical microscopy (POM) and differential scanning calorimetry (DSC). POM studies revealed that the first four homologues 3a–3d (C1–C4) are non-mesomorphic. Conversely, monotropic smectic phases emerge starting from pentyloxy derivative 3e (C5) and persist up to the hexadecyloxy member 3l (C16), with the exception of 3k (C14), which exhibits no mesomorphism. The isotropic-to-smectic (I–Sm) transition temperatures increase with chain length up to C12, indicating stabilization of the smectic phase through van der Waals interactions between the extended alkyl chains and the core aromatic systems. DSC analysis confirmed the smectic–isotropic transitions, with enthalpy and entropy trends correlating with molecular order. Notably, 3e exhibits the lowest clearpoint among the mesogenic homologues, rendering it the most texturally stable smectic phase upon cooling. Comparative studies with the previously reported homologous series revealed that incorporation of a lateral OMe group decreases the overall thermal stability and narrows the mesophase range due to steric hindrance, although it promotes an earlier onset of the smectic phase. These results elucidate the critical impact of molecular architecture on mesomorphic behavior, driven by a delicate balance between alkyl chain length, lateral substitution, and anisotropic intermolecular interactions.","PeriodicalId":766,"journal":{"name":"Russian Journal of Organic Chemistry","volume":"62 6","pages":""},"PeriodicalIF":0.8,"publicationDate":"2026-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0