Journal of Sulfur Chemistry最新文献_第5页

Ultrasound promoted synthesis of 2-methylthio-3H-1,5-benzodiazepines using CaFe2O4 NPs as heterogeneous catalyst and their in-vitro experimental and theoretical studies as antifungal agents 以 CaFe2O4 NPs 为异相催化剂超声促进合成 2-甲硫基-3H-1,5-苯并二氮杂卓及其作为抗真菌剂的体外实验和理论研究

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2391543

Anjaneyulu Bendi , Keertika Khandelwal , Nutan Sharma , Lham Dorjee , Robin Gogoi

{"title":"Ultrasound promoted synthesis of 2-methylthio-3H-1,5-benzodiazepines using CaFe2O4 NPs as heterogeneous catalyst and their in-vitro experimental and theoretical studies as antifungal agents","authors":"Anjaneyulu Bendi , Keertika Khandelwal , Nutan Sharma , Lham Dorjee , Robin Gogoi","doi":"10.1080/17415993.2024.2391543","DOIUrl":"10.1080/17415993.2024.2391543","url":null,"abstract":"<div><div>In the current study, we have developed an efficient and simple ultrasound-promoted protocol for synthesizing 2-methylthio-3H-1,5-benzodiazepine derivatives from α-oxo ketene dithioacetals using reusable CaFe2O4 nanoparticles as heterogeneous catalysts. The use of CaFe2O4 nanoparticles as catalyst under ultrasonic irradiation gave better yields in shorter reaction times in comparison to our previous synthetic strategy which used basic alumina as a solid support. The nanocatalyst was found to be applicable to diverse aromatic/heteroaromatic and cyclic ketones. In addition, the quantum mechanical calculations (DFT studies) of all the derivatives were carried out using Spartan software to determine the geometry and physiochemical properties of the derivatives and the molecular docking studies of all the optimized derivatives using Autodock Vina and Discovery Studio software to check their efficacy as antifungal agents. Based on the best docking results, In-vitro experimental studies of BDZ-13 and BDZ-19 were carried out to test their efficacy as antifungal agents.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 6","pages":"Pages 893-916"},"PeriodicalIF":2.1,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142209381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 novel isoxazole/dihydroisoxazole tethered β-lactam hybrids via regiospecific 1,3-dipolar cycloaddition methodology on 3-phenylthio-β-lactams 通过对 3-苯硫基-β-内酰胺进行区域特异性 1,3-二极环加成法合成新型异恶唑/二氢异恶唑系β-内酰胺杂交体

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2398574

Suvidha Pandey , Reshma Nagpal , Aarti Thakur , Shamsher S. Bari , Prasant Kumar Nanda , Renu Thapar

{"title":"Synthesis of novel isoxazole/dihydroisoxazole tethered β-lactam hybrids via regiospecific 1,3-dipolar cycloaddition methodology on 3-phenylthio-β-lactams","authors":"Suvidha Pandey , Reshma Nagpal , Aarti Thakur , Shamsher S. Bari , Prasant Kumar Nanda , Renu Thapar","doi":"10.1080/17415993.2024.2398574","DOIUrl":"10.1080/17415993.2024.2398574","url":null,"abstract":"<div><div>Tethering of two biologically active molecules in a single unit is considered as a captivating solution for the extension of existing antibiotics. β-Lactams which display a vast array of biological properties due to various ring substitutions continue to attract the attention of synthetic chemists. The incorporation of the ‘isoxazole’ nucleus in its appendage is known to enhance the properties of β-lactam compounds. Its inclusion in the compounds offers decreased toxicity, increased efficacy, and improved pharmacokinetics spectrum. In the reported work, we highlight the efficient use of 1,3-dipolar cycloaddition reaction to synthesize novel isoxazole/dihydroisoxazole ring-linked β-lactam hybrids using 3-propargyloxy-β-lactams/3-allyl-β-lactams as synthons. The methodology devised has been found to be highly regioselective and generalized for the selected substrates to provide a variety of novel hybrid compounds under elementary reaction conditions. The synthesized compounds have been well characterized by various spectroscopic techniques and optimized reaction conditions for both types of hybrid compounds have been studied.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 6","pages":"Pages 950-971"},"PeriodicalIF":2.1,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142266994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

A facile approach to the synthesis of 3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3,4]thiadiazines 合成3,4-二氢- 2h -苯并[4,5]咪唑[2,1-b][1,3,4]噻二嗪的简易方法

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2394627

Evgeniya Khodykina , Diana Pobedinskaya , Inna Borodkina , Alexander Astakhov , Oleg Demidov , Anatoly Metelitsa , Victor Chernyshev , Alexandra Kolodina

引用次数: 0

A novel D-limonene derivative: synthesis, characterization, molecular docking, molecular dynamics and ADMET prediction studies 一种新型d -柠檬烯衍生物：合成、表征、分子对接、分子动力学和ADMET预测研究

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2375308

Mourad Fawzi , Yassine Laamari , Ali Oubella , Md Tabish Rehman , Egemen Sahin , Mohamed Fahad AlAjmi , Ilkay Yildiz , Moulay Youssef Ait Itto , Aziz Auhmani

{"title":"A novel D-limonene derivative: synthesis, characterization, molecular docking, molecular dynamics and ADMET prediction studies","authors":"Mourad Fawzi , Yassine Laamari , Ali Oubella , Md Tabish Rehman , Egemen Sahin , Mohamed Fahad AlAjmi , Ilkay Yildiz , Moulay Youssef Ait Itto , Aziz Auhmani","doi":"10.1080/17415993.2024.2375308","DOIUrl":"10.1080/17415993.2024.2375308","url":null,"abstract":"<div><div>Synthesis, characterization, and theoretical studies of a novel limonene-bis(isoxazole)-thiazolidinone hybrid, prepared from natural D-limonene in five steps, were conducted. The compounds obtained were successfully identified using HRMS, 1H- and 13C-NMR spectral data. Subsequently, in-silico docking and molecular dynamic simulation studies were performed to predict potential interaction modes between the compounds and the active sites of the target hTopo IIα. Both studies indicated that all molecules exhibited good binding affinity towards the hTopo IIα enzyme, similar to the reference drug etoposide, when placed in the enzyme’s active site. In addition, in silico ADME/Tox studies were carried out to assess the drug-likeness and pharmacokinetic properties of the molecules. The limonene-bis(isoxazole)-thiazolidinone hybrid derivatives may serve as promising lead compounds for the development of new topoisomerase-targeted anticancer agents.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 6","pages":"Pages 831-849"},"PeriodicalIF":2.1,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143105143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Preparation of functionalized magnetic nanoparticles bearing sulfonic acid as an effective reusable solid acid catalyst for the synthesis of benzothiazoles 制备含磺酸的功能化磁性纳米颗粒，作为合成苯并噻唑的有效可重复使用的固体酸催化剂

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2391540

Khadijeh Rabiei , Mehran Mehrabi , Hossein Naeimi

{"title":"Preparation of functionalized magnetic nanoparticles bearing sulfonic acid as an effective reusable solid acid catalyst for the synthesis of benzothiazoles","authors":"Khadijeh Rabiei , Mehran Mehrabi , Hossein Naeimi","doi":"10.1080/17415993.2024.2391540","DOIUrl":"10.1080/17415993.2024.2391540","url":null,"abstract":"<div><div>In this study, solid acid magnetic nanoparticles Fe3O4@SiO2-S-Bu-SO3H were prepared under appropriate conditions and characterized by various analytical techniques including FT-IR, XRD, FE-SEM, EDX, and VSM. Finally, the catalytic activity of the synthesized Fe3O4@SiO2-S-Bu-SO3H MNPs was investigated for the synthesis of valuable benzothiazole derivatives by the condensation reaction of ortho-aminothiophenol and various aldehydes under ultrasonic conditions. In the presence of the inexpensive, environment-friendly, magnetically recoverable solid acid catalyst, the benzothiazoles were obtained as pure target products in excellent yields (90–98%) and short reaction times (3–11 min). The synthesized Fe3O4@SiO2-S-Bu-SO3H MNPs show great catalytic activity because of the combined effect of Brønsted acidity and high functional group density. This solid acid magnetic nanocatalyst is reusable for several cycles and can be easily segregated from the reaction mixture.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 6","pages":"Pages 875-892"},"PeriodicalIF":2.1,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142209380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Modification of clinoptilolite as a natural zeolite by copper oxide nanoparticles for efficient desulfurization of kerosene 用纳米氧化铜颗粒改性作为天然沸石的clinoptilolite，实现煤油的高效脱硫

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2393390

Abdolraouf Samadi-Maybodi , Motahareh Majidi Trojeni , Haniyeh Shafiei

引用次数: 0

Cu(OTf)2-mediated acylation and direct N-transacylation of sulfonamides Cu(OTf) 2 介导的磺酰胺酰化反应和直接 N-反式酰化反应

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-09-02 DOI: 10.1080/17415993.2024.2378777

Juan Tian , Mengyun Chen , Junshuo Chen , Chengya Shao , Kangkang Yu , Yunfeng Liu , Dayong Sang

{"title":"Cu(OTf)2-mediated acylation and direct N-transacylation of sulfonamides","authors":"Juan Tian , Mengyun Chen , Junshuo Chen , Chengya Shao , Kangkang Yu , Yunfeng Liu , Dayong Sang","doi":"10.1080/17415993.2024.2378777","DOIUrl":"10.1080/17415993.2024.2378777","url":null,"abstract":"<div>Metal triflate-catalyzed acylation of sulfonamides and direct transacylation of N-acylsulfonamides have been investigated. The acylation of sulfonamides proceeds efficiently in the presence of a catalytic amount of Cu(OTf)2 (0.001 equiv) using either carboxylic anhydrides or acyl chlorides as the acylating agents. Alternative catalysts suitable for this transformation include Al(OTf)3, Fe(OTf)3, Ga(OTf)3, In(OTf)3, and Er(OTf)3. In the presence of Cu(OTf)2 (0.2 equiv), N-acylsulfonamides undergo direct transacylation in excess acyl chlorides (10 equiv) to furnish new N-acylsulfonamides through exchange of N-acyl groups. Ga(OTf)3, Fe(OTf)3, and In(OTf)3 are similarly reactive in catalyzing such transacylation transformations. The reaction conditions are mild and operationally convenient. A variety of functional groups including halogeno, keto, nitro, cyano, ether, and carboxylic ester are tolerated, providing the corresponding monoacylated N-acylsulfonamides in good to excellent yields.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 5","pages":"Pages 642-656"},"PeriodicalIF":2.1,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141824198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 new 4, 5-disubstituted-6-methyl-2-(methylthio) pyrimidines via C-C coupling reactions 通过 C-C 偶联反应合成新的 4，5-二取代-6-甲基-2-（甲硫基）嘧啶

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-09-02 DOI: 10.1080/17415993.2024.2390541

Forough Cheldavi , Mohammad Bakherad , Ali Keivanloo , Amin Rezaeifard , Mohsen Nikpour

引用次数: 0

Zn(II) and Cd(II) complexes of dithiocarbamate ligands: synthesis, characterization, anticancer, and theoretical studies 二硫代氨基甲酸配体的锌（II）和镉（II）配合物：合成、表征、抗癌和理论研究

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-09-02 DOI: 10.1080/17415993.2024.2384751

Eid A. Abdalrazaq , Abdel-Aziz Abu-Yamin , Deeb Taher , Abdullah E. Hassan , Ahmed A. Elhenawy

{"title":"Zn(II) and Cd(II) complexes of dithiocarbamate ligands: synthesis, characterization, anticancer, and theoretical studies","authors":"Eid A. Abdalrazaq , Abdel-Aziz Abu-Yamin , Deeb Taher , Abdullah E. Hassan , Ahmed A. Elhenawy","doi":"10.1080/17415993.2024.2384751","DOIUrl":"10.1080/17415993.2024.2384751","url":null,"abstract":"<div>A potassium 4-(ethoxycarbonyl)phenyldithiocarbamate, (4-etphdtc), and 6-ethoxybenzothiazol)-dithiocarbamate, (6-etbedtc), ligands have been isolated and four metal dithiocarbamate complexes of the type [M(4-etphdtc)2] and [M(6-etbedtc)2] (M = Zn, Cd;) were synthesized and characterized by elemental analysis and spectroscopic techniques (FT-IR,1H and13C{1H}-NMR, HRMS, UV–vis). Thermogravimetric studies of all four complexes were performed and the final product of the thermal decomposition was metal sulfides. The theoretical study with density functional theory (DFT) has been utilized to optimize the structures of the complexes for HOMO–LUMO energy calculation. Non-bonding orbitals (NBO) analysis was performed to determine the numerous hyper-conjugative interactions responsible for the stability of the compound. In addition, Molecular Electrostatic Potential (MEP) analysis was conducted to identify the compounds’ electron-rich, electron-poor, reactive sites, and bonding characteristics. The Electron Localization Function (ELF), and AIM Charges are also calculated. In vitro cytotoxicity, the complexes were examined against cervical cancer cells (HeLa) to assess their reactivity. Molecular docking studies were conducted to confirm the biological activity by simulating the binding orientation and affinity of the ligands and their complexes against VEGFR-2 kinase, The investigated ligands interact with the binding site as; hydrophilic (Lys868, Glu885, His1026, Cys1045, and Asp1046) and hydrophobic (Val889 and Leu889) for 4-etphdtc; hydrophilic (Lys868, Glu885, Cys1045, and Asp1046) and hydrophobic (Val889, Leu889, Leu1035, and Phe1047) for 6-etphdtc. The calculated binding free energy values for Zn(4-etphdtc)2 and Zn(6-etphdtc)2complexes are – 9.700 kcal/mol, – 10.003 kcal/mol, respectively.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 5","pages":"Pages 714-739"},"PeriodicalIF":2.1,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141882990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Cyclization of 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione with isothiocyanates: a simple one-pot synthesis of novel 4-oxo-2-phenyl-4H-chromene-3-carbothioamides and 2-phenyl-3-(2-thioxo-2H-1,3,5,4-thiadiazaphosphinin-6-yl)-4-oxo-4H-chromenes 1-(2-羟基苯基)-3-苯基丙烷-1,3-二酮与异硫氰酸盐的环化反应：新型 4-氧代-2-苯基-4H-苯并吡喃-3-硫代酰胺和 2-苯基-3-(2-硫酮-2H-1,3,5,4-噻二唑膦-6-基)-4-氧代-4H-苯并吡喃的简单单锅合成法

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-09-02 DOI: 10.1080/17415993.2024.2370528

Tarik E. Ali , Mohammed A. Assiri , Mohamed Abdel-Megid

{"title":"Cyclization of 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione with isothiocyanates: a simple one-pot synthesis of novel 4-oxo-2-phenyl-4H-chromene-3-carbothioamides and 2-phenyl-3-(2-thioxo-2H-1,3,5,4-thiadiazaphosphinin-6-yl)-4-oxo-4H-chromenes","authors":"Tarik E. Ali , Mohammed A. Assiri , Mohamed Abdel-Megid","doi":"10.1080/17415993.2024.2370528","DOIUrl":"10.1080/17415993.2024.2370528","url":null,"abstract":"<div>A simple synthetic strategy to construction of novel 4-oxo-2-phenyl-4H-chromene-3-carbothioamides (2–6) was achieved. The synthetic strategy depended on the treatment of 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione (1) with some examples of aryl, aralkyl, aroyl and phosphorus isothiocyanates with promotion of DBU. The interesting 4,6-diphenyl-5-(2-hydroxy-benzoyl)-2-thioxo-3,4-dihydro-2H-1,3,4-oxazaphosphinine (8) as a highly regioselective product was obtained through treatment of the substrate 1 with phenyl phosphonisothiocyanatidous chloride whereas the other novel 2-phenyl-3-(2-thioxo-2H-1,3,5,4-thiadiazaphosphinin-6-yl)-4-oxo-4H-chromenes (9 and 10) were formed by using phosphorous diisothiocyanate and triisothiocyanate, respectively, under the same basic reaction conditions. All the reaction mechanisms were discussed. Structures of all the synthesized products were established by elemental analysis and available spectral tools.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 5","pages":"Pages 627-641"},"PeriodicalIF":2.1,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141739716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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