Month: November 2022

Aboul-Enein, Hassan Y. published the artcileNMR spectrometric analysis of antazoline, Application In Synthesis of 2508-72-7, the publication is Spectroscopy Letters (1978), 11(12), 931-8, database is CAplus.

¹H NMR is used for the anal. of antazoline-HCl (I-HCl) [2508-72-7]. The procedure provides good quant. results together with a very specific mean for identification of I.

Spectroscopy Letters published new progress about 2508-72-7. 2508-72-7 belongs to imidazoles-derivatives, auxiliary class Inhibitor,Immunology/Inflammation,Histamine Receptor, name is N-Benzyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline hydrochloride, and the molecular formula is C17H20ClN3, Application In Synthesis of 2508-72-7.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Kommi, Damodara N. published the artcile“All-water” one-pot diverse synthesis of 1,2-disubstituted benzimidazoles: hydrogen bond driven synergistic electrophile-nucleophile dual activation’ by water, Category: imidazoles-derivatives, the publication is Green Chemistry (2013), 15(3), 798-810, database is CAplus.

A new “all-water” tandem arylaminoarylation/arylaminoalkylation-reduction-cyclization route is reported for one-pot diversity oriented synthesis of regiodefined 1,2-disubstituted benzimidazoles. Water plays a crucial and indispensable role through hydrogen bond driven synergistic electrophile-nucleophile dual activation’ in the formation of N-mono-aryl/aryl alkyl/alkyl/cycloalkyl o-nitroanilines under metal and base-free conditions to replace the transition metal-based C-N bond formation (aryl amination) chem. and underlines the origin of regiodefined installation of the diverse selection of aryl, aryl alkyl, and alkyl/cycloalkyl groups as substituents on the benzimidazole scaffold to form the 1,2-disubstituted benzimidazoles. The influence of the hydrogen bond effect of water in promoting the arylaminoarylation reaction under base and metal-free conditions has been realized through observation of inferior yields in D₂O compared to that obtained in water during the reaction of o-fluoronitrobenzene with aniline sep. performed in water and D₂O under similar exptl. conditions. Water also provides assistance in promoting the subsequent nitro reduction and in the final cyclocondensation steps. The role of water in promoting the cyclocondensation reaction through hydrogen bonds is realized by the differential product yields during the reaction of mono-N-phenyl-o-phenylenediamine with benzaldehyde performed sep. in water and D₂O. The better hydrogen bond donor and hydrogen bond acceptor abilities of water compared to those of the organic solvents are the contributing/deciding factors for making the new water-assisted tandem arylaminoarylation/arylaminoalkylation-reduction-cyclization strategy for the diversified synthesis of the regiodefined 1,2-disubstituted benzimidazoles effective in an aqueous medium, making it represent a true “all-water chem.”.

Green Chemistry published new progress about 2622-67-5. 2622-67-5 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Benzene,Benzimidazole, name is 1,2-Diphenyl-1H-benzo[d]imidazole, and the molecular formula is C19H14N2, Category: imidazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Sayko, Ryan published the artcileUniversality in Solution Properties of Polymers in Ionic Liquids, Application In Synthesis of 79917-90-1, the publication is ACS Applied Polymer Materials (2022), 4(3), 1966-1973, database is CAplus.

Knowledge of the interaction parameters for polymers in different solvents is crucial for exploring the viscoelastic properties and processing capabilities of polymer solutions Here, we apply a scaling theory of semidilute polymer solutions to quantify the solution properties of cellulose, poly(ethylene oxide), poly(Me methacrylate), and poly(acrylonitrile-co-itaconic acid) in different ionic liquids The starting point of our approach is a scaling relationship between the solution correlation length ξ = lg^ν/B and the number of repeat units g in a correlation blob for polymers with a repeat unit projection length l, chain segment fractal dimension 1/ν, and the corresponding interaction parameter B describing polymer-solvent affinity and assuming values B_g, B_th, and 1 in different solution regimes. In the framework of this approach, we obtain crossover concentrations to the semidilute solution regime, c*, the solution regime of overlapping thermal blobs, c_th, and the concentrated solution regime, c**. The method takes advantage of the linear relationship of the specific viscosity η_sp with the number of correlation blobs per chain N_w/g in the unentangled Rouse regime for polymers with a weight-average d.p. N_w. The application of our approach to entangled solutions provides the chain packing number, P_e, and completes the set of parameters {B_g, B_th, and P_e} that uniquely describes the static and dynamic solution properties for a given polymer/solvent pair. This approach also allows us to identify a trend relating the B_g parameter to the van der Waals volume of the ionic liquid anion, analogous to the Hofmeister series, and to obtain the temperature and solvent type dependence of the polymer excluded volume and Kuhn length.

ACS Applied Polymer Materials published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Application In Synthesis of 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Marrero-Ponce, Yovani published the artcileLigand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps, Quality Control of 2508-72-7, the publication is Journal of Chemical Information and Modeling (2005), 45(4), 1082-1100, database is CAplus and MEDLINE.

Malaria has been one of the most significant public health problems for centuries. It affects many tropical and subtropical regions of the world. The increasing resistance of Plasmodium spp. to existing therapies has heightened alarms about malaria in the international health community. Nowadays, there is a pressing need for identifying and developing new drug-based antimalarial therapies. In an effort to overcome this problem, the main purpose of this study is to develop simple linear discriminant-based quant. structure-activity relation (QSAR) models for the classification and prediction of antimalarial activity using some of the TOMOCOMD-CARDD (TOpol. Mol. COMputer Design-Computer Aided “Rational” Drug Design) fingerprints, to enable computational screening from virtual combinatorial datasets. In this sense, a database of 1562 organic chems. having great structural variability, 597 of them antimalarial agents and 965 compounds having other clin. uses, was analyzed and presented as a helpful tool, not only for theor. chemists but also for other researchers in this area. This series of compounds was processed by a k-means cluster anal. to design training and predicting sets. Afterward, two linear classification functions were derived to discriminate between antimalarial and nonantimalarial compounds The models (including nonstochastic and stochastic indexes) correctly classify more than 93% of the compound set, in both training and external prediction datasets. They showed high Matthews’ correlation coefficients, 0.889 and 0.866 for the training set and 0.855 and 0.857 for the test one. The models’ predictivity was also assessed and validated by the random removal of 10% of the compounds to form a new test set, for which predictions were made using the models. The overall means of the correct classification for this process (leave group 10% full-out cross validation) using the equations with nonstochastic and stochastic atom-based quadratic fingerprints were 93.93% and 92.77%, resp. The quadratic maps-based TOMOCOMD-CARDD approach implemented in this work was successfully compared with four of the most useful models for antimalarials selection reported to date. The developed models were then used in a simulation of a virtual search for Ras FTase (FTase = farnesyltransferase) inhibitors with antimalarial activity; 70% and 100% of the 10 inhibitors used in this virtual search were correctly classified, showing the ability of the models to identify new lead antimalarials. Finally, these two QSAR models were used in the identification of previously unknown antimalarials. In this sense, three synthetic intermediaries of quinolinic compounds were evaluated as active/inactive ones using the developed models. The synthesis and biol. evaluation of these chems. against two malaria strains, using chloroquine as a reference, was performed. An accuracy of 100% with the theor. predictions was observed Compound 3 showed antimalarial activity, being the first report of an arylaminomethylenemalonate having such behavior. This result opens a door to a virtual study considering a higher variability of the structural core already evaluated, as well as of other chems. not included in this study. We conclude that the approach described here seems to be a promising QSAR tool for the mol. discovery of novel classes of antimalarial drugs, which may meet the dual challenges posed by drug-resistant parasites and the rapid progression of malaria illnesses.

Journal of Chemical Information and Modeling published new progress about 2508-72-7. 2508-72-7 belongs to imidazoles-derivatives, auxiliary class Inhibitor,Immunology/Inflammation,Histamine Receptor, name is N-Benzyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline hydrochloride, and the molecular formula is C17H20ClN3, Quality Control of 2508-72-7.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Shoukry, Adel F. published the artcileAtomic emission spectrophotometric determination of antazoline, hydralazine, amiloride hydrochlorides, and quinine sulfate based on formation of ion associates with manganese thiocyanate, Recommanded Product: N-Benzyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline hydrochloride, the publication is Analyst (Cambridge, United Kingdom) (1995), 120(4), 1211-13, database is CAplus.

Ion associate complexes of the hydrochlorides of antazoline (1), hydralazine (2) and amiloride (3), and quinine sulfate (4) with [Mn(SCN)₄]^2- were precipitated and their solubilities were studied as a function of pH, ionic strength and temperature The optimum conditions for the complete precipitation of the ion associate were, thus, elucidated. An accurate and precise method using at. emission spectrometry for the determination of the investigated drugs in pure solutions and in pharmaceutical preparations is reported. The drugs can be determined by this method in the ranges 0.3-3.0, 0.19-1.96, 0.3-3.0 and 0.78-7.82 mg per 25 mL solutions of (1), (2), (3) and (4), resp.

Analyst (Cambridge, United Kingdom) published new progress about 2508-72-7. 2508-72-7 belongs to imidazoles-derivatives, auxiliary class Inhibitor,Immunology/Inflammation,Histamine Receptor, name is N-Benzyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline hydrochloride, and the molecular formula is C6H9N3, Recommanded Product: N-Benzyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline hydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Lipi, Farhana published the artcileDevelopment and validation of analytical method for determination of esomeprazole sodium by HPLC, Recommanded Product: Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, the publication is International Research Journal of Pharmacy (2016), 7(5), 10-14, database is CAplus.

A very simple, accurate, specific, precise and rapid reverse phase high performance liquid chromatog. technique has been built up as well as validated to determine the Esomeprazole Sodium. The method is applicable for the quant. anal. of the drug substance. Chromatog. seperation was achieved on a Supelco 250-mm, 4.6-mm, and 5-μ m C-18 anal. column with a mixture of Buffer and Acetonitrile at a volume ratio of 55:45 (volume/volume) as mobile phase at a flow rate of 1.0 mL/min. The mol. eluted within a short runtime (within 7.0 min). The eluted compound was monitored at a detector wavelength of 302 nm and the column oven temperature was maintained at 25°C. The developed method was validated according to ICH guidelines. The high recovery and low relative standard deviation confirm the suitability of the method for detection of Esomeprazole Sodium. The repeatability and intermediate precision, expressed by the % RSD, were less than 2%. Accuracy (% recovery: 98.00-102.00%) was found to satisfactory. The method was validated by determining its accuracy, precision, system suitability, linearity and robustness. Validation studies reveal that the method is simple, specific, rapid, reproducible, precise and accurate, which is useful for the routine detection of Esomeprazole Sodium.

International Research Journal of Pharmacy published new progress about 161796-78-7. 161796-78-7 belongs to imidazoles-derivatives, auxiliary class Membrane Transporter/Ion Channel,Proton Pump, name is Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, and the molecular formula is C17H18N3NaO3S, Recommanded Product: Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Nagao, I. published the artcileRapid production of benzazole derivatives by a high-pressure and high-temperature water microflow chemical process, Related Products of imidazoles-derivatives, the publication is Green Chemistry (2016), 18(12), 3494-3498, database is CAplus.

A high-pressure and high-temperature (HPHT) water microflow chem. process was utilized for the synthesis of benzazole derivs, e.g., I. The current approach enables the extremely rapid production of various 2-arylbenzazoles including benzimidazoles, benzoxazoles, and benzothiazole in excellent yields.

Green Chemistry published new progress about 2622-67-5. 2622-67-5 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Benzene,Benzimidazole, name is 1,2-Diphenyl-1H-benzo[d]imidazole, and the molecular formula is C19H14N2, Related Products of imidazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Kanso, Hussein published the artcileChemiluminescence immunoassays for estradiol and ethinylestradiol based on new biotinylated estrogen derivatives, SDS of cas: 359860-27-8, the publication is Analytical Biochemistry (2017), 63-68, database is CAplus and MEDLINE.

New chemiluminescence-based immunoassays for sensitive detection of 17-β estradiol (E2) and ethinylestradiol (EE2) are described on the basis of the use of biotinylated estrogen derivatives Estrogen derivatives bearing a carboxylic group (E2-COOH and EE2-COOH) on C-3 position were synthesized, covalently bound to aminated biotin and subsequently immobilized on avidin-coated microtiter plates. The assay principle was based on competition between free and immobilized estrogens for their binding to primary antibodies, with subsequent revelation using horseradish peroxidase (HRP)-labeled secondary antibodies. Under optimized conditions, the chemiluminescence immunoassays showed a highly sensitive response to E2 and EE2, with resp. detection limits of 0.5 and 1.2 ng L^-1. The LOD achieved using biotinylated E2 was in the same order of magnitude as those obtained using com. available E2-bovine serum albumin conjugate (E2-BSA). The developed devices were successfully applied to anal. wastewater treatment plants effluents (WWTP) with negligible matrix effect.

Analytical Biochemistry published new progress about 359860-27-8. 359860-27-8 belongs to imidazoles-derivatives, auxiliary class Other Aliphatic Heterocyclic,Chiral,Amine,Amide,Ether,Inhibitor, name is N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide, and the molecular formula is C18H34N4O5S, SDS of cas: 359860-27-8.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Sakurai, Shun published the artcilePalladium-Catalyzed Siloxycyclopropanation of Alkenes Using Acylsilanes, Computed Properties of 258278-25-0, the publication is Journal of the American Chemical Society (2022), 144(3), 1099-1105, database is CAplus and MEDLINE.

Currently, catalytically transferable carbenes are limited to electron-deficient and neutral derivatives, and electron-rich carbenes bearing an alkoxy group (i.e., Fischer-type carbenes) cannot be used in catalytic cyclopropanation because of the lack of appropriate carbene precursors. We report herein that acylsilanes can serve as a source of electron-rich carbenes under palladium catalysis, enabling cyclopropanation of a range of alkenes. This reactivity profile is in sharp contrast to that of metal-free siloxycarbenes, which are unreactive toward normal alkenes. The resulting siloxycyclopropanes serve as valuable homoenolate equivalent, allowing rapid access to elaborate β-functionalized ketones.

Journal of the American Chemical Society published new progress about 258278-25-0. 258278-25-0 belongs to imidazoles-derivatives, auxiliary class Achiral NHCs Ligands, name is 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, and the molecular formula is C27H39ClN2, Computed Properties of 258278-25-0.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Hikawa, Hidemasa published the artcileBenzoyl methyl phosphates as efficient reagents in the one-pot tandem approach for the synthesis of 2-phenylbenzimidazoles in water, Formula: C19H14N2, the publication is RSC Advances (2014), 4(8), 3768-3773, database is CAplus.

A novel and efficient method for the environmentally benign, catalyst- and auxiliary-free synthesis of 2-phenylbenzimidazoles I [R = 4-MeO, 4-Cl, 2-I, etc.] in water was developed. Benzoyl Me phosphates played important role as biomimetic acylating agents for the one-pot tandem approach without addnl. catalysts.

RSC Advances published new progress about 2622-67-5. 2622-67-5 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Benzene,Benzimidazole, name is 1,2-Diphenyl-1H-benzo[d]imidazole, and the molecular formula is C19H14N2, Formula: C19H14N2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem