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A series of 8 H-7-(substituted aryl)-3-(4-methylthiobenzyl)-1,3,4-thiadiazino[2,3- c]-1,2,4-triazin-4-ones (4) were synthesized in good yield by condensing 4-amino-6-(4-methylthiobenzyl)-3-mercapto-1,2,4-triazin-5(4 H)-one 1 with various substituted phenacyl bromides (2) in presence of anhydrous sodium acetate, followed by the cyclization of the intermediate triazinone derivatives (3) in presence of concentrated sulphuric acid. The structures of the newly synthesized compounds were formulated on the basis of elemental analysis, IR, 1H NMR and mass spectral studies. The newly synthesized compounds were tested for their in vitro antibacterial and antifungal activity against a variety of microorganisms. [ABSTRACT FROM AUTHOR]

4-amino-6-(4-methylthiobenzyl)-3-mercapto-1,2,4-triazin-5(4H)-one was condensed with various substituted benzoic acids/aryloxyacetic acids in the presence of phosphorus oxychloride to afford a series of 7-(substituted aryl/aryloxymethyl)-3-(4-methylthiobenzyl)-4H-1,3,4-thiadiazolo[2,3-c]-1,2,4-triazin-4-ones in good yields. The structures of the newly synthesized compounds were confirmed on the basis of elemental analysis, IR, 1H NMR, and mass spectral studies. All the newly synthesized compounds were tested for their antibacterial and antifungal activity against a variety of microorganisms. [ABSTRACT FROM AUTHOR]

Abstract: Synthesis of a series of 7-arylidene-6-(2,4-dichlorophenyl)-3-aryloxymethyl/anilinomethyl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines (3) by the condensation of 3-aryl-1-(2,4-dichloro-5-fluorophenyl)-2-bromo-propen-1-one (1) and 4-amino-5-mercapto-3-aryloxymethyl/anilinomethyl-1,2,4-triazoles (2) is described. The newly synthesized compounds were characterized by elemental analysis IR, 1H NMR and mass spectral data. These compounds were tested for their antimicrobial activities against Escherichia coli, Staphylococcus aureus (Smith), Psuedomonas aeruginosa (Gessard), Bacillus subtilis and Candida albicans. Some of the newly synthesized compounds were also screened for their anticancer activity. Among them compounds 3m, 3o, 3q showed in vitro anticancer activity. [Copyright &y& Elsevier]

2-(5-Arylfurfurylidene/5-nitrofurfurylidene)-5-aryl-7-(2,4-dichloro-5-fluorophenyl)-5H-thiazolo[2,3-b]-pyrimidin-2(1H)-ones 5 and 6 are synthesized by a novel three component reaction of 4,6-diarylpyrimidino-2(1H)-thiones 4, monochloroacetic acid, arylfurfuraldehydes and 5-nitro-2-furfuraldenediacetate, respectively. The newly synthesized compounds are characterized by elemental analysis, IR, 1H NMR and mass spectral studies. These compounds exhibited in vitro antitumour activity with moderate to excellent growth inhibition against a panel of 60 cell lines of leukemia, non-small cell lung cancer melanoma, ovarian cancer, prostate cancer and breast cancer. [Copyright &y& Elsevier]

1,2,4-Triazolo[3,4-b]thiazole derivatives 5a-j have been synthesized by novel multi-component reaction of 2,4-dichloro-5-fluorophenacyl bromide ( 1 ), thiosemicarbazide ( 2 ), and aromatic carboxylic acids ( 4 ) using phosphorous oxychloride as the cyclizing agent. This reaction protocol is simple, efficient, and requires shorter reaction times in comparison to the conventional multi-step synthesis. The products were identified to be same by an alternate synthesis. All the compounds were screened for their antimicrobial activity against some of bacterial and fungal strains. [ABSTRACT FROM AUTHOR]

The second harmonic generation (SHG) conversion efficiency of 22 arylfurylpropenones were examined. The required arylfurylpropenones were prepared by the condensation of substituted arylfurfuraldehyde with various substituted acetophenones by Claisen–Schmidt reaction. All the newly synthesized propenones were characterized by elemental analysis and spectral studies. Most of them showed SHG conversion efficiency in powder form. [Copyright &y& Elsevier]

2,4-dichloro-5-fluorophenyl, 4-fluoro-3-(Phenoxy)phenyl, 4-fluorophen-yl groups are known pharmacophores and can be used in the synthesis of new biologically active molecules. Therefore, 4-amino-6-arylmethyl-3-mercapto-1,2,4-triazin5(4H)-ones 1 are condensed with 3-phenoxy-4-fluoro-benzoic acid, 2,4-dichloro-5-fluorobenzoic acid, and 4-fluorobenzoic acid 2 to give 7-substituted-3-arylmethyl-4H-1,3,4-thiadiazolo[2,3-c]-1,2,4-triazin-4-ones 3 . Phosphorous oxychloride was used as cyclizing agent. All the newly synthesized compounds 3a-l was screened for their antibacterial activities. Most of them showed promising activity in the range of 10 μg/mL concentrations. [ABSTRACT FROM AUTHOR]

A series of 3-substituted 4-[5-(4-methoxy-2-nitrophenyl)-2-furfurylidene] amino-5-mercapto-1,2,4-triazoles (3) were synthesized. Aminomethylation of compounds 3 with formaldehyde and various secondary amines furnished Mannich bases 4 and 5. These compounds were characterized on the basis of IR, 1H-NMR, mass spectral data and elemental analysis. The newly synthesized compounds were screened for their anticancer activity against a panel of 60 cell lines derived from seven cancer types namely, lung, colon, melanoma, renal, ovarian, CNS and leukemia. Some of the compounds were slightly more potent. [Copyright &y& Elsevier]

A series of arylthioureas (1), aromatic aldehyde thiosemicarbazones (2) and 5-aryl-2-furfuraldehyde thiosemicarbazones (3) were condensed with 2,4-dichloro-5-fluorophenacyl bromide to yield respective arylaminothiazoles, arylidene/5-aryl-2-furfurylidene hydrazinothiazoles (4). The newly synthesized compounds were characterized by IR, 1H-NMR and mass spectral studies. These compounds were also screened for their antibacterial and anti-inflammatory activities. Two of the newly synthesized compounds showed anti-inflammatory activity comparable with that of Ibuprofen. [Copyright &y& Elsevier]

4-Amino-6-arylmethyl/tert-butyl-3-mercapto-1,2,4-triazin-5(4H)-ones (1) were condensed with arylfuroic acids (2) to yield 7-(5-aryl-2-furyl)-3-arylmethyl/tert-butyl-4H-1,3,4-thiadiazolo[2,3-c]-1,2,4-triazin-4-ones (3). The newly synthesized compounds exhibited antibacterial activity comparable to that of nitrofurazone. In addition, two compounds displayed in vitro antitumor activity with moderate growth inhibition against a panel of 60 tumor cell lines. [Copyright &y& Elsevier]

A series of bis-phenoxyacetic acids 2 were prepared starting from corresponding unsubstituted/substituted 1,4-quinols 1. The fusion of bis-phenoxyacetic acids 2 with thiocarbohydrazide gave the corresponding bis-[4-amino-5-mercapto-1,2,4-triazol-3-yl-methyleneoxy]phenylenes (3) in a one pot reaction. The reaction of bis-triazoles 3 with various reagents afforded N-bridged heterocycles 4–6 in good yields. The newly synthesised compounds were screened for their anticancer activity against a panel of 60 cell lines derived from seven cancer types namely, lung, colon, melanoma, renal, ovarian, CNS and leukemia. Some of the tested compounds showed promising anticancer properties. [ABSTRACT FROM AUTHOR]

A series of arylfuranylpropenones 3a-i were synthesized by the reaction of 5-(2-nitro-4-methoxyphenyl)-2-furfural 1 with various acetophenones 2 by Claisen–Schmidt condensation. All the newly synthesized chalcones were characterized by elemental analysis and spectral studies. Most of them showed SHG conversion efficiency in powder form. [Copyright &y& Elsevier]

Abstract: The third-order nonlinear optical properties of chalcone derivatives have been studied using the single beam Z-scan technique. The dependence of χ (3) on different donor and acceptor type substituents demonstrates the electronic nonlinearity of compounds. The largest value of nonlinear refractive index, n 2, measured for a high electron donor substituted molecule is −2.033×10−11 esu. These molecules exhibit a strong two-photon absorption and interesting optical limiting of nanosecond laser pulses at 532nm. [Copyright &y& Elsevier]

Background: Adverse childhood experiences (ACEs) increases vulnerability to externalising disorders such as substance misuse. The study aims to determine the prevalence of ACEs and its association with substance misuse.Methods: Data from the Consortium on Vulnerability to Externalising Disorders and Addictions (cVEDA) in India was used (n = 9010). ACEs were evaluated using the World Health Organisation (WHO) Adverse Childhood Experiences International Questionnaire whilst substance misuse was assessed using the WHO Alcohol, Smoking and Substance Involvement Screening Test. A random-effects, two-stage individual patient data meta-analysis explained the associations between ACEs and substance misuse with adjustments for confounders such as sex and family structure.Results: 1 in 2 participants reported child maltreatment ACEs and family level ACEs. Except for sexual abuse, males report more of every individual childhood adversity and are more likely to report misusing substances compared with females (87.3% vs. 12.7%). In adolescents, family level ACEs (adj OR 4.2, 95% CI 1.5-11.7) and collective level ACEs (adj OR 6.6, 95% CI 1.4-31.1) show associations with substance misuse whilst in young adults, child level ACEs such as maltreatment show similar strong associations (adj OR 2.0, 95% CI 1.1-3.5).Conclusion: ACEs such as abuse and domestic violence are strongly associated with substance misuse, most commonly tobacco, in adolescent and young adult males in India. The results suggest enhancing current ACE resilience programmes and 'trauma-informed' approaches to tackling longer-term impact of ACEs in India.Funding: Newton Bhabha Grant jointly funded by the Medical Research Council, UK (MR/N000390/1) and the Indian Council of Medical Research (ICMR/MRC-UK/3/M/2015-NCD-I). [ABSTRACT FROM AUTHOR]

Abstract: A series of 3-(2,4-dichloro-5-fluorophenyl)-6-(substituted phenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines (4) (Fig. 1) have been synthesized by the cyclization of 3-(2,4-dichloro-5-fluorophenyl)-1,2,4-triazol-5-thiol (3) with substituted phenacyl bromides. All the newly synthesized compounds were confirmed by IR, 1H NMR and mass spectral studies. Among the compounds tested for their antitumor activity three compounds exhibited in vitro antitumor activity with moderate to excellent growth inhibition against a panel of sixty cancer cell lines of leukemia, non-small cell lung cancer, melanoma, ovarian cancer, prostate and breast cancer. The compound 4d showed promising antiproliferative activity with GI50 values in the range of 1.06–25.4μM. [Copyright &y& Elsevier]

Abstract: A series of substituted triazolothiadiazoles (6a–j and 7a–j) have been synthesized by condensing 4-amino-3-[4-methylthiobenzyl]-4H-1,2,4-triazole-5-thiol (5) with substituted aryl furoic acids/aromatic acids in the presence of POCl3. The triazole (5) was obtained by the fusion of 4-methylthiophenyl acetic acid (4) with thiocarbohydrazide. The structures of newly synthesized compounds are characterized by elemental analysis, IR, 1H NMR and mass spectroscopic studies and were screened for their antimicrobial activities. The preliminary results revealed that some of the compounds exhibited promising antimicrobial activities. [Copyright &y& Elsevier]

A series of 7-substituted-3-t-butyl 4(H)-1,3,4-thiadiazolo(2,3-c)-1,2,4-triazine-4-one (3) have been synthesized by condensing 4-amino-6-t-butyl-3-mercapto-1,2,4-triazin-5(4H)-one (1) with substituted Arylfuroic acids (2) using POCl3 as a cyclizing agent. The newly synthesized compounds are characterized by elemental analysis, IR, 1H NMR, and mass spectral studies. The compounds were screened for their antibacterial and antifungal activities. Some of the compounds showed promising antibacterial and antifungal activity. [ABSTRACT FROM AUTHOR]

3-Substituted-4-amino-5-mercapto-1,2,4-triazoles are versatile synthons for constructing various biologically active heterocycles. Their cyclization with carboxylic acids gives fused five-membered derivatives, whereas with α-bromoketones gives a six-membered heterocycle. In this article we report the synthesis of a series of 1,2,4-triazolo[3,4-b]thiadiazoles 5 starting from 4-amino-3-substituted-5-mercapto-1,2,4-triazoles 3 and fluorobenzoic acids 4 using phosphorous oxychloride as cyclizing agent. Fourteen of the newly synthesized compounds were screened for anticancer properties. Four among them showed in vitro anticancer activity. [ABSTRACT FROM AUTHOR]

A series of new furanopeptides (3) are prepared by the coupling of arylsubstituted furoic acids (1) with amino acid methyl esters, di and tetra-peptide methyl esters using dicyclohexyl carbodiimide (DCC) as coupling agent. Some of the newly synthesized compounds are characterized on the basis of IR, 1H NMR, mass spectral data and elemental analysis. Some of the selected compounds are also tested for their antibacterial properties. [Copyright &y& Elsevier]

The title compound, 4, 4′-methoxy bis-hydrazone, C 16 H 16 N 2 O 2 , has been characterized thus: monoclinic, Cc , a=17.418(3) Å, b=10.710(3) Å, c=8.435(3) Å, β=113.74(.02)°, V=1440.3(7) Å 3 , Z =4, F.W.=268.31, D c =1.237 Mg.m −3 , F 000 =568.00, λ( Mo K α )=0.71069 Å, μ=0.083 mm −1 , final R 1 and w R2 are 0.0427 and 0.1413, respectively. The compound is a mesogen which exhibits nematic phase and also shows super cooling. [ABSTRACT FROM PUBLISHER]

The title compound, 4, 4′-methoxy bis-hydrazone, C 16 H 16 N 2 O 2 , has been characterized thus: monoclinic, Cc , a=17.418(3) Å, b=10.710(3) Å, c=8.435(3) Å, β=113.74(.02)°, V=1440.3(7) Å 3 , Z =4, F.W.=268.31, D c =1.237 Mg.m -3 , F 000 =568.00, λ( Mo K α )=0.71069 Å, μ=0.083 mm -1 , final R 1 and w R2 are 0.0427 and 0.1413, respectively. The compound is a mesogen which exhibits nematic phase and also shows super cooling. [ABSTRACT FROM AUTHOR]

• Single crystal was grown using slow evaporation technique. • Crystal possesses orthorhombic system with space group Pbca. • The percentage of intermolecular contacts was resolved by hirshfeld surface analyses. • The compound (5) was screened for its antifungal and mosquito larvicidal activity. The title compound 3‑tert‑butyl‑7-(2,3,4-trimethoxyphenyl)-4 H -[1,3,4]thiadiazolo[2,3- c ][1,2,4]triazin-4-one was prepared and characterized using single crystal X-ray diffraction, thermal & Uv-Vis analysis, FTIR, NMR (1H, 13C) and Mass spectral studies. The intercontacts in the crystal structure were analyzed and quantified using Hirshfeld surfaces computational method. Intermolecular hydrogen bonds C12—H12A...O4, C13—H13C...O4, C15—H15A...O2 and C16—H16B...O3 connects the molecule in the crystal structure. The intramolecular hydrogen bond of the type C—H ...N was observed. Intercontacts H...H, O... H and N...H shows more contributions towards Hirshfeld surfaces. Thermal analysis indicates the title compound starts to degrade at 216.9 °C. In addition, mosquito larvicidal activity and antifungal activity were performed. [ABSTRACT FROM AUTHOR]