Month: November 2022

Markovic, Nov published the artcilePhysical and thermal characterization of chiral omeprazole sodium salts, Recommanded Product: Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, the publication is Journal of Pharmaceutical and Biomedical Analysis (2006), 42(1), 25-31, database is CAplus and MEDLINE.

The phys. properties of drug substances may affect stability, manufacturing, dissolution and bioavailability. Variations in the degree of crystallinity in a pharmaceutical substance may exhibit physicochem. differences that impact at therapeutic, manufacturing, com. and legal levels, yet no reference has been found on the phys. properties of micronized omeprazole. This study reports on the phys. and thermal characterization of the sodium salts of S- and R-omeprazole, using diffuse reflectance IR Fourier transform spectroscopy (DRIFT), SEM, differential scanning calorimetry (DSC), microthermal anal. (μTA) and powder x-ray diffraction (XRPD). DSC experiments were performed in order to determine not only their thermal stability, but also the thermal history of both forms. SEM results indicate similar morphol., particle size and shape of powd. drug, while, μTA of processed disks shows different topog. images for S- and R-omeprazole, exhibiting a smoother surface for the S-form, indicative of the smoother particle size not evident in the SEM results. The low level of crystallinity of both enantiomers was confirmed by DRIFT spectroscopy and XRPD. Thermal stability by DSC of S- and R-omeprazole sodium salts was superior to that of the neutral omeprazole. This study has examined the phys. and thermal properties of both forms and in highlighting their differences provides an explanation for the potential differences in bioavailability and therapeutic efficacy.

Journal of Pharmaceutical and Biomedical Analysis 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

Soonthonhut, Siraporn published the artcileIonic Liquid Driven Nucleophilic Substitution of Squaric Acid to Squaramides, Quality Control of 79917-90-1, the publication is Synlett (2022), 33(14), 1347-1352, database is CAplus.

The synthesis of squaramides such as I [R¹ = H, C₆H₅; R² = n-Bu, C₆H₅, 4-BrC₆H₄, etc.] through [bmim]Cl-mediated nucleophilic substitution of squaric acid with amine nucleophiles was reported. Owing to remarkable solvating ability of ionic liquid, reactions of squaric acid with a variety of structurally diverse amine nucleophiles were achieved. Interestingly, a catalyst-free reaction in [bmim]Cl could produce squaramides up to 99% yield. With the same efficacies, [bmim]Cl could be reused for at least three cycles. The catalyst-free, ionic liquid mediated approach expanded the reactant scope and offered a simple, efficient, and environmentally friendly synthesis of squaramides.

Synlett 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 C3H12Cl2N2, Quality Control of 79917-90-1.

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

Sharma, Rohit published the artcileMetal-Free Ionic-Liquid-Mediated Synthesis of Benzimidazoles and Quinazolin-4(3H)-ones from Benzylamines, Product Details of C19H14N2, the publication is Asian Journal of Organic Chemistry (2017), 6(10), 1370-1374, database is CAplus.

An expedient metal-free synthetic protocol for the construction of benzimidazoles I (R = C₆H₅, 4-FC₆H₄, 3-ClC₆H₄, etc.; X = H, C₆H₅) has been developed from o-phenylenediamine and benzylamine, using an imidazolium-based ionic liquid as the reaction medium. The reactions proceed by oxidation of benzylamine derivatives to their corresponding imines, followed by intramol. cyclization, to yield benzimidazoles. Advantages of this method include: an environmentally friendly metal-free process, recyclable reaction media, high yields, short reaction times, and the applicability for the synthesis of quinazolin-4(3H)-ones III (R = C₆H₄, 4-ClC₆H₄, 3-BrC₆H₄, etc.). An NMR spectroscopy study provided further insight into the reaction.

Asian Journal of Organic 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 C5H12O2, Product Details of C19H14N2.

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

Kee Soon, Ngu published the artcileDensity functional theory on ionic liquid as carbonate scale dissolver in petroleum pipelines, Name: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is Computational & Theoretical Chemistry (2022), 113576, database is CAplus.

The carbonate scale is the common oilfield scale found in the petroleum pipeline, which will cause flow assurance problems. In the purpose to conquer this problem, the alternative approach is to use ionic liquids (ILs) particularly in dissolving carbonate scale. The main objective of this study is to determine the effective ILs to dissolve carbonate scale in petroleum pipelines, and to evaluate the effect of intermol. interaction in ILs toward their properties such as dissolution capabilities. The d. functional theory (DFT) calculation is used to investigate the intermol. interaction of a series of different ion pair, namely cations and anions-based of ILs with carbonate ion. All the calculations are completed by Gaussian software at the hybrid Becke 3-Lee-Yang-Parr (B3LYP) level using the 6-311++G(d, p) basis set. The optimized structure of carbonate ion and ion pairs of ILs have been obtained from the calculation which was further complemented by harmonic vibrational frequency, binding energies, bond type, bond order, and natural bond orbital (NBO). The binding energy for the cation and anion-based ILs are obtained where the ammonium ion is -302.2627 kJ/mol and tetrafluoroborate ion is -562.9194 kJ/mol which depict to have the highest value compare to others. Both of them are made up of the single bond and are characterized as the polar covalent bond. The NBO anal. pointed out the higher second-order perturbation energy, E (2) for ammonium ion is at a lone pair, LP (1) N 9 to antibonding sigma, BD*(1) O 3-H 6 while BF4 ion is at lone pair LP (3) F 2 to antibonding lone pair, LP*(1) Ca 6. The selective ILs, ammonium tetrafluoroborate shown the higher neg. binding energy which is -371.93 kJ/mol having the same nature of bond type and bond order from the findings in cation and anion-based ILs.

Computational & Theoretical Chemistry 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, Name: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

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

Sajith, A. M. published the artcileA Highly Efficient Catalyst for the Suzuki Cross-coupling Reaction of 3-Chloro-5-oxadiazol-2-yl Pyridine, COA of Formula: C7H7BN2O2, the publication is Journal of Heterocyclic Chemistry (2015), 52(6), 1748-1757, database is CAplus.

A facile access to diversely substituted 3-aryl/heteroaryl-5-oxadiazol-2-yl-pyridines using PdCl₂(dtbpf) as palladium precursor has been developed. The method is compatible with a wide range of aryl/heteroaryl boronic acids.

Journal of Heterocyclic Chemistry published new progress about 913835-63-9. 913835-63-9 belongs to imidazoles-derivatives, auxiliary class Other Aromatic Heterocyclic,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is Imidazo[1,2-a]pyridine-6-boronic acid, and the molecular formula is C7H7BN2O2, COA of Formula: C7H7BN2O2.

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

Wahbi, A. M. published the artcileSpectrophotometric analysis of binary mixtures of antazoline and naphazoline, Product Details of C17H20ClN3, the publication is Journal of Pharmaceutical Sciences (1978), 67(1), 140-1, database is CAplus and MEDLINE.

Simultaneous spectrophotometric determination of antazoline-HCl (I) [2508-72-7] and naphazoline-HNO₃ (II) [5144-52-5] in nasal drops involved dilution of 1 mL nasal drop solution to 50 mL with 0.1 N H₂SO₄, measuring the absorbancies at 281 and 295 nm, and applying the Glenn (1960), Cho (1970), and Pernarowski (1961) equations. Mean percentage recoveries for I were 99.5 (±1.05) and 99.7 (±1.24), resp., for 10 samples; for II they were 107.1 (±2.35) and 107.1 (±2.64), resp., for 10 samples. The relatively high percentage recoveries obtained for II were due to its low contribution to the absorption curve of the total mixture at the concentration used. Accuracy and precision for the determination of II was improved by applying the method of least squares.

Journal of Pharmaceutical Sciences 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 C8H7BO2S, Product Details of C17H20ClN3.

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

Abdel-Halim, Lamia M. published the artcileComparative study between recent methods manipulating ratio spectra and classical methods based on two-wavelength selection for the determination of binary mixture of antazoline hydrochloride and tetryzoline hydrochloride, SDS of cas: 2508-72-7, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2016), 98-105, database is CAplus and MEDLINE.

A comparative study was developed between two classical spectrophotometric methods (dual wavelength method and Vierordt’s method) and two recent methods manipulating ratio spectra (ratio difference method and first derivative of ratio spectra method) for simultaneous determination of Antazoline hydrochloride (AN) and Tetryzoline hydrochloride (TZ) in their combined pharmaceutical formulation and in the presence of benzalkonium chloride as a preservative without preliminary separation The dual wavelength method depends on choosing two wavelengths for each drug in a way so that the difference in absorbance at those two wavelengths is zero for the other drug. While Vierordt’s method, is based upon measuring the absorbance and the absorptivity values of the two drugs at their λ_max (248.0 and 219.0 nm for AN and TZ, resp.), followed by substitution in the corresponding Vierordt’s equation. Recent methods manipulating ratio spectra depend on either measuring the difference in amplitudes of ratio spectra between 255.5 and 269.5 nm for AN and 220.0 and 273.0 nm for TZ in case of ratio difference method or computing first derivative of the ratio spectra for each drug then measuring the peak amplitude at 250.0 nm for AN and at 224.0 nm for TZ in case of first derivative of ratio spectrophotometry. The specificity of the developed methods was investigated by analyzing different laboratory prepared mixtures of the two drugs. All methods were applied successfully for the determination of the selected drugs in their combined dosage form proving that the classical spectrophotometric methods can still be used successfully in anal. of binary mixture using minimal data manipulation rather than recent methods which require relatively more steps. Furthermore, validation of the proposed methods was performed according to ICH guidelines; accuracy, precision and repeatability are found to be within the acceptable limits. Statistical studies showed that the methods can be competitively applied in quality control laboratories

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 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, SDS of cas: 2508-72-7.

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

Haynes, Keith M. published the artcileIdentification and Structure-Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coli, Category: imidazoles-derivatives, the publication is Journal of Medicinal Chemistry (2017), 60(14), 6205-6219, database is CAplus and MEDLINE.

In Gram-neg. bacteria, efflux pumps are able to prevent effective cellular concentrations from being achieved for a number of antibiotics. Small mol. adjuvants that act as efflux pump inhibitors (EPIs) have the potential to reinvigorate existing antibiotics that are currently ineffective due to efflux mechanisms. Through a combination of rigorous exptl. screening and in silico virtual screening the authors recently identified novel classes of EPIs that interact with the membrane fusion protein AcrA, a critical component of the AcrAB-TolC efflux pump in E. coli. Herein, the authors present initial optimization efforts and structure-activity relationships around one of those previously described hits, NSC 60339. From these efforts the authors identified two compounds, SLUPP-225 (II) and SLUPP-417 (III), which demonstrate favorable properties as potential EPIs in E. coli cells including the ability to penetrate the outer membrane, improved inhibition of efflux relative to (I) and potentiation of the activity of novobiocin and erythromycin.

Journal of Medicinal Chemistry published new progress about 13682-33-2. 13682-33-2 belongs to imidazoles-derivatives, auxiliary class Imidazole,Amine,Benzene, name is 4-(1H-Imidazol-2-yl)aniline, and the molecular formula is C9H9N3, Category: imidazoles-derivatives.

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