Category: isoquinoline

Nabipour, Hafezeh published the artcileA phosphaphenanthrene-containing vanillin derivative as co-curing agent for flame-retardant and antibacterial epoxy thermoset, Computed Properties of 1455-77-2, the main research area is vanillin derivative curing flame retardant antibacterial epoxy thermoset preparation.

A phosphaphenanthrene-containing vanillin-derived compound (VDG) was synthesized by a one-pot nucleophilic addition reaction from vanillin, 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO), and 3,5-diamino-1,2,4-triazole. The mol. structure of VDG was characterized by Fourier transform IR, and 1H, 13C, and 31P NMR spectrometer. Various loadings of VDG were incorporated into diglycidyl ether of bisphenol A (DGEBA) as a co-curing agent together with 4, 4′-diaminodiphenylmethane to produce an epoxy thermoset. The thermomech., thermal and fire-retardant properties of EP thermosets were evaluated by dynamic mech. analyzer, differential scanning calorimetry, thermogravimetric anal., limiting oxygen index (LOI), UL-94, and cone calorimetry. The results showed that a linear decrease in glass transition temperature with increasing loading of VDG owing to the declined crosslinking d. The cured DGEBA/DDM system with 2.0 wt% of VDG exhibited super anti-flammability in terms of a high LOI value of 37.0% and UL-94 V-0 rating, whereas the cured DGEBA/DDM and DGEBA/DDM with 2.0 wt% of DOPO systems showed no rating in UL-94 test. In addition, cone calorimetry test showed that the cured DGEBA/DDM system with 2.0 wt% of VDG exhibited a reduction of up to 47.5% and 34% for peak heat release rate and total heat release, resp., compared to the cured DGEBA/DDM system. The enhanced flame-retardant property was attributed to the formation of the compact and continual structure of char layer residue with good thermo-oxidative stability. In addition to good anti-flammability, the cured DGEBA/DDM/VDG thermoset showed antibacterial property against E. coli, with an inhibition zone diameter of 10 mm. Thus, this bio-based co-curing agent could impart flame-retardant and antibacterial performance to epoxy for developing high performance functional thermosetting materials.

Polymer published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Computed Properties of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Nabipour, Hafezeh published the artcileAn environmentally friendly approach to fabricating flame retardant, antibacterial and antifungal cotton fabrics via self-assembly of guanazole-metal complex, Product Details of C2H5N5, the main research area is cotton fabric guanazole metal complex flammability antibacterial antifungal property.

Cotton fabrics are prone to ignite fire accidents as well as breed bacteria and fungi, which have hampered their applications in the field of packaging and home decorations. Guanazole complexes with silver and zinc ions were deposited to cotton fabrics through self-assembly to prepare the flame-retardant and antibacterial cotton fabrics. The effect of the guanazole-metal complexes on the morphol. structure, flammability and thermal degradation of cotton fabrics was studied by field emission SEM, limiting oxygen index (LOI), UL-94 vertical burning test, and thermogravimetric anal. The antibacterial and antifungal activities of the coated fabrics were evaluated as well. The guanazole-zinc and guanazole-silver treated cotton fabrics showed a high LOI of 29.5% and 27.5%, resp. In the vertical burning test, both the guanazole-zinc and guanazole-silver treated cotton fabrics self-extinguished when removing the ignition source, displaying a UL-94 V-0 classification, while the untreated one and the guanazole-treated one burned out. Thermogravimetric anal. results confirmed that the guanazole-metal complexes promoted the thermal decomposition of cotton and thus improved the char yield significantly. Micro-scale combustion calorimeter measurements clarified that the guanazole-zinc and guanazole-silver treated cotton displayed dramatically decreased peak heat release rate (64.4% and 59.1%, resp.) and total heat release (26.4% and 14.8%, resp.) in comparison to the untreated one. The significantly improved flame retardancy of guanazole-metal complexes treated cotton fabrics could be attributed to their enhanced charring capability that blocked flammable volatiles into flame zone. The treated cotton fabrics with guanazole-metal complexes exhibited better antibacterial capacity against Staphylococcus aureus and Escherichia coli than the untreated and guanazole-treated ones. Furthermore, the guanazole-silver treated cotton fabrics also showed good antifungal activity against Penicillium, Fusarium chlamydosporum and Aspergillus niger.

Journal of Cleaner Production published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Nabipour, Hafezeh published the artcileAn environmentally friendly approach to fabricating flame retardant, antibacterial and antifungal cotton fabrics via self-assembly of guanazole-metal complex, Name: 3,5-Diamino-1,2,4-triazole, the main research area is cotton fabric guanazole metal complex flammability antibacterial antifungal property.

Cotton fabrics are prone to ignite fire accidents as well as breed bacteria and fungi, which have hampered their applications in the field of packaging and home decorations. Guanazole complexes with silver and zinc ions were deposited to cotton fabrics through self-assembly to prepare the flame-retardant and antibacterial cotton fabrics. The effect of the guanazole-metal complexes on the morphol. structure, flammability and thermal degradation of cotton fabrics was studied by field emission SEM, limiting oxygen index (LOI), UL-94 vertical burning test, and thermogravimetric anal. The antibacterial and antifungal activities of the coated fabrics were evaluated as well. The guanazole-zinc and guanazole-silver treated cotton fabrics showed a high LOI of 29.5% and 27.5%, resp. In the vertical burning test, both the guanazole-zinc and guanazole-silver treated cotton fabrics self-extinguished when removing the ignition source, displaying a UL-94 V-0 classification, while the untreated one and the guanazole-treated one burned out. Thermogravimetric anal. results confirmed that the guanazole-metal complexes promoted the thermal decomposition of cotton and thus improved the char yield significantly. Micro-scale combustion calorimeter measurements clarified that the guanazole-zinc and guanazole-silver treated cotton displayed dramatically decreased peak heat release rate (64.4% and 59.1%, resp.) and total heat release (26.4% and 14.8%, resp.) in comparison to the untreated one. The significantly improved flame retardancy of guanazole-metal complexes treated cotton fabrics could be attributed to their enhanced charring capability that blocked flammable volatiles into flame zone. The treated cotton fabrics with guanazole-metal complexes exhibited better antibacterial capacity against Staphylococcus aureus and Escherichia coli than the untreated and guanazole-treated ones. Furthermore, the guanazole-silver treated cotton fabrics also showed good antifungal activity against Penicillium, Fusarium chlamydosporum and Aspergillus niger.

Journal of Cleaner Production published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Name: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Dusunceli, Serpil Demir published the artcileSynthesis, antimicrobial properties, and theoretical analysis of benzimidazole-2-ylidene silver(I) complexes, Safety of 4-Methoxyphenylacetic acid, the main research area is crystal mol structure silver benzimidazolylidene complex; silver benzimidazolylidene preparation antimicrobial activity mol docking.

Sym. and nonsym. N,N-disubstituted benzimidazolium salts were synthesized as N-heterocyclic carbene precursors. These salts were treated with Ag2O to afford their corresponding mononuclear Ag(I)-NHC complexes. These compounds were characterized by spectroscopy techniques and analyzed by DFT/TDDFT and docking methods. Also, the structures of and were determined by single-crystal x-ray crystallog. These new Ag-NHC complexes were screened for their antibacterial activities against Gram-pos., Gram-neg. bacteria, fungi, and nosocomial agents.

Journal of Coordination Chemistry published new progress about Antibacterial agents. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Safety of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Huang, Yixuan published the artcileInhibition effect of Zedoary turmeric oil on Listeria monocytogenes and Staphylococcus aureus growth and exotoxin proteins production, Computed Properties of 117-96-4, the main research area is Listeria Staphylococcus zedoary turmeric oil exotoxin protein inhibition effect; Listeria monocytogenes; Staphylococcus aureus; Zedoary turmeric oil; essential oil composition; virulence factors.

Purpose. Zedoary turmeric oil (ZTO), the steam extract of Curcuma zedoaria Rosc was researched for its chem. composition, antibacterial activity, and mechanism for countering two major food-borne pathogenic species, Listeria monocytogenes and Staphylococcus aureus. Methodol. Gas chromatog.-mass spectrometry (GC-MS) was used to analyze and characterize the chem. composition of ZTO. Its MICs for the two bacterial species and growth curves were measured. Western blot and real-time reverse-transcription (RT)-PCR assays were utilized to elaborate the mechanism of the antibacterial effect of ZTO by examining the expression levels of virulence-related extracellular proteins. ELISA was used to explore the biol. relevance. Results. GC-MS revealed high contents of curzerene, eucalyptol, germacrone and (-)-g-elemene representing 28.45, 10.94, 10.77 and 10.54%, resp., of the whole components. The MICs of ZTO that combated L. monocytogenes and S. aureus were similar (1-2 mg ml-1 ). After adding ZTO at increasing concentrations, there was an evident reduction in the transcription of hly, iap, hla, sea, seb and agrA in a dose-dependent manner. Furthermore, TNF-α accumulation in RAW264.7 cells stimulated by L. monocytogenes and S. aureus supernatants was restricted by a 1/4 MIC of ZTO. Conclusion. Overall, L. monocytogenes and S. aureus were comparably susceptible to ZTO. These data demonstrated that ZTO’s antimicrobial property was mediated by the repression of the production of virulence factors involved in L. monocytogenes and S. aureus pathogenesis, a finding that can potentially further progress in the development of new anti-virulence drugs.

Journal of Medical Microbiology published new progress about Antibacterial agents. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Computed Properties of 117-96-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Sumrra, Sajjad Hussain published the artcileComputational investigation of molecular structures, spectroscopic properties, cholinesterase inhibition and antibacterial activities of triazole Schiff bases endowed metal chelates, Name: 3,5-Diamino-1,2,4-triazole, the main research area is triazoldiamine salicylaldehyde derivative electronic structure antibacterial enzyme inhibition activity; transition metal triazole Schiff base preparation antibacterial enzyme inhibition.

The aim of this project was to introduce novel bioactive compounds through the design and synthesis of two mono-Schiff bases, 4- [(5-amino-1H-1,2,4-triazol-3-yl)imino]methylbenzene-1,3-diol (L1) and 2-[(5-amino-1H-1,2,4-triazol-3-yl)imino]methyl-6-methoxyphenol (L2) and one bis-Schiff base, 2,2′-{1H-1,2,4-triazole-3,5-diylbis[nitrilomethylylidene]}bis(6-methoxyphenol) (L3) together with their complexes of transition metals [VO(IV), Cr(III), Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)]. The mol. structures of as-synthesized Schiff bases were explicitly confirmed by phys., spectral, anal. and computational studies. Quantum chem. calculations based on d. functional theory (DFT) were performed at B3LYP/6-311+G(d.p) level to explore the optimized geometrical structures, mol. electrostatic potential (MEP), Mulliken at. charges (MAC) and frontier MO (FMO) anal. of the as-synthesized ligands. The FMO energy gaps were rationalized to be 0.162, 0.158 and 0.138 eV for ligands (L1), (L2) and (L3), resp. which can efficiently polarize their chem. structures. As-synthesized metal complexes have good agreement with their purposed structures with octahedral geometry except V complexes, which have square pyramidal geometry. As-synthesized compounds were also evaluated through TG and fluorescence anal. Addnl., the compounds were also scrutinized for antibacterial activity against five bacterial strains (Halomonas halophila, Chromohalobacter israelensis, Escherichia coli, Chromohalobacter salexigens and Halomonas salina) and enzyme inhibition bioassay against butyrylcholinesterase (BChE) and acetylcholinesterase (AChE). The complexes (15) and (1) were the most active inhibitors of BChE and AChE enzymes with 94.60% and 90.90% activity, resp. Also, all the compounds also exhibited significant antibacterial activity. The metal complexes displayed more biol. activity in contrary to parent ligands as a result of chelation.

Journal of Molecular Structure published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Name: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Sumrra, Sajjad Hussain published the artcileComputational investigation of molecular structures, spectroscopic properties, cholinesterase inhibition and antibacterial activities of triazole Schiff bases endowed metal chelates, SDS of cas: 1455-77-2, the main research area is triazoldiamine salicylaldehyde derivative electronic structure antibacterial enzyme inhibition activity; transition metal triazole Schiff base preparation antibacterial enzyme inhibition.

The aim of this project was to introduce novel bioactive compounds through the design and synthesis of two mono-Schiff bases, 4- [(5-amino-1H-1,2,4-triazol-3-yl)imino]methylbenzene-1,3-diol (L1) and 2-[(5-amino-1H-1,2,4-triazol-3-yl)imino]methyl-6-methoxyphenol (L2) and one bis-Schiff base, 2,2′-{1H-1,2,4-triazole-3,5-diylbis[nitrilomethylylidene]}bis(6-methoxyphenol) (L3) together with their complexes of transition metals [VO(IV), Cr(III), Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)]. The mol. structures of as-synthesized Schiff bases were explicitly confirmed by phys., spectral, anal. and computational studies. Quantum chem. calculations based on d. functional theory (DFT) were performed at B3LYP/6-311+G(d.p) level to explore the optimized geometrical structures, mol. electrostatic potential (MEP), Mulliken at. charges (MAC) and frontier MO (FMO) anal. of the as-synthesized ligands. The FMO energy gaps were rationalized to be 0.162, 0.158 and 0.138 eV for ligands (L1), (L2) and (L3), resp. which can efficiently polarize their chem. structures. As-synthesized metal complexes have good agreement with their purposed structures with octahedral geometry except V complexes, which have square pyramidal geometry. As-synthesized compounds were also evaluated through TG and fluorescence anal. Addnl., the compounds were also scrutinized for antibacterial activity against five bacterial strains (Halomonas halophila, Chromohalobacter israelensis, Escherichia coli, Chromohalobacter salexigens and Halomonas salina) and enzyme inhibition bioassay against butyrylcholinesterase (BChE) and acetylcholinesterase (AChE). The complexes (15) and (1) were the most active inhibitors of BChE and AChE enzymes with 94.60% and 90.90% activity, resp. Also, all the compounds also exhibited significant antibacterial activity. The metal complexes displayed more biol. activity in contrary to parent ligands as a result of chelation.

Journal of Molecular Structure published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, SDS of cas: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Sumrra, Sajjad H. published the artcileEfficient synthesis, characterization, and in vitro bactericidal studies of unsymmetrically substituted triazole-derived Schiff base ligand and its transition metal complexes, Synthetic Route of 1455-77-2, the main research area is unsym triazole Schiff base ligand transition metal preparation antibacterial; furanylethylideneamino triazolyliminophenol Schiff base preparation transition metal complexation; mol structural calculation furanylethylideneamino triazolyliminophenol Schiff base transition metal.

In the present research, novel unsym. substituted triazole-derived Schiff base ligand 2-[[[5-[[1-(5-methylfuran-2-yl)ethylidene]amino]-1H-1,2,4-triazol-3-yl]imino]methyl]phenol (L) has been synthesized by the reaction of 1,2,4-triazole-3,5-diamine with 2-hydroxybenzaldehyde and with 5-methyl-2-acetylfuran in an equimolar ratio. The synthesized ligand L was characterized by phys. methods (m.p., solubility, color) as well as by spectral techniques (IR, UV-Vis, 1H NMR, 13C NMR, and MS), elemental anal., and computational studies. Computational anal. further elucidated the structure, polarity, stability, and nature of the ligand. The bivalent(II), trivalent(III), and tetravalent(IV) transition metal complexes were formed by reacting Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), and Cr(III) metals as chloride and, VO(IV) as sulfate with Schiff base ligand L in 1:2 (M:L) molar ratio. Ligand was coordinated with the metal ions, VO via benzaldehyde-O and azomethine-N and with Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), and Cr(III) via benzaldehyde-O, azomethine-N, and triazole-N. The structure of the metal complexes was deduced by IR, conductance, magnetic moments, and elemental anal. Biol. evaluation of triazole-derived Schiff base ligand and its metal complexes was carried out against bacterial strains, Escherichia coli, Staphylococcus aureus, Neisseria gonorrhea, and Pseudomonas syringae. Copper complex showed the highest inhibition against all bacterial strains as compared to the free ligand and amongst other metal complexes. In vitro antibacterial studies thus concluded that the prepared ligand showed bioactivity which was enhanced upon chelation/coordination with the metal ions.

Monatshefte fuer Chemie published new progress about Antibacterial agents. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Synthetic Route of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kuley, Esmeray published the artcileInhibitory activity of Co-microencapsulation of cell free supernatant from Lactobacillus plantarum with propolis extracts towards fish spoilage bacteria, Product Details of C2H6N2O, the main research area is propolis extract microencapsulation fish spoilage bacteria Lactobacillus.

Antibacterial properties of microencapsulated Lactobacillus plantarum cell-free supernatant (CFS) in combinations with aqueous or ethanolic propolis extract at doses of 1% against fish spoilage bacteria were investigated. Microencapsulated samples contained more than 17 compounds, of which furyl alc., acetic acid, maltol, and 2(5H) furanon were identified as common compounds The effects of microencapsulated CFS from L. plantarum in combination with or without propolis extracts on the fish spoilage bacteria varied according to the bacterial species. Among the fish spoilage bacteria, the highest antimicrobial activity of samples was observed against P. damselae with >15.5 mm inhibition diameter zone. Pure and microencapsulated CFS from L. plantarum showed the lowest antimicrobial effects on P. mirabilis with a corresponding inhibition diameter zone of 8.33 and 8.00 mm. Microencapsulated CFS from L. plantarum in combination with aqueous propolis extract had 25 mg/mL of MIC and 50 mg/mL of MBC on all bacteria although the bactericidal effect of microencapsulated samples in combination with ethanolic propolis extract occurred at a level of above 50 mg/mL. The study results revealed that co-microencapsulation of CFS obtained from L. plantarum with propolis extract, especially its aqueous extract, could be potentially used as antimicrobial agents to overcome microbial growth in foods.

LWT–Food Science and Technology published new progress about Antibacterial agents. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Product Details of C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Shah, Umang published the artcileIdentification of chalcone derivatives as putative non-steroidal aromatase inhibitors potentially useful against breast cancer by molecular docking and ADME prediction, Recommanded Product: 2,3-Dimethoxybenzaldehyde, the main research area is breast cancer chalcone anticancer nonsteroidal aromatase inhibitor mol docking.

Aromatase is an influential target to overcome estrogen receptor pos. breast cancer, as the enzyme is responsible for conversion of androstenedione to estrone, a promising drug target for therapeutic management of breast cancer. Chalcones are prominent biosynthetic compounds and parent candidate for the synthesis of heterocycles with diversified biol. activities. The prime objective of the present study is to evaluate the binding interaction of 2-hydroxyphenyl- prop-2-en-1-one (1A-1X), 2-hydroxy-4-methoxyphenyl- prop-2-en-1-one (3A-3X), 2,4-dihydroxyphenyl- prop-2-en-1-one (9A-9X) and 1-hydroxynaphthalen-2-yl-prop-2-en-1-one (5A-5X) derivatives with aromatase enzyme by mol. docking study and also check their ADME properties by maestro suit. The designed chalcones derivatives have been docked against our target protein with PDB id 3S7S retrieved from the protein data bank, whereas exemestane has been taken as the pos. control. As docking data revealed that docking score of 1K, 1U, 1B 3K 3N, 5K, 5U, 9S, 9K, 9N and 9F compounds found less than exemestane and all of these compounds with appropriate ADME properties have proven their excellent absorption as well as solubility characteristics. The present findings provided valuable information about binding interactions of chalcones derivatives to the active site of aromatase. These compounds may serve as potential lead compound for developing new aromatase inhibitors in breast cancer treatment.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about Aromatase inhibitors. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Recommanded Product: 2,3-Dimethoxybenzaldehyde.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem