Month: December 2022

Qin, Xu-feng published the artcileDetection and control of impurities in esomeprazole sodium for injection, Synthetic Route of 161796-78-7, the publication is Shandong Huagong (2014), 43(3), 21-25, database is CAplus.

Objective: To establish a method to determine and confirm the structures of the impurities in esomeprazole sodium for injection. Method: HPLC method was adopted. The determination was performed on Agilent chromatog. (model: 1260, detector: G1315D), ZORBA EXTEND-C18 (250 mm × 3.0 mm, 5 μm) column was used. The flow rate was 1.0 mL·min^-1 with UV detective wavelength at 280 nm, the column temperature was 35°C, gradient elution; the structure was identified by NMR and mass spectrum. Results: The imparity peaks and esomeprazole sodium peak were effectively separated when the sample was forcedly destroyed, no matter change the proportion of mobile phase, column temperature, flow rate, or different chromatog. column models and manufacturers, the separation degree accords with regulation. Conclusion: The method has been developed and validated of the detection and control of impurities in esomeprazole sodium for injection, and the structures of impurities have been confirmed. This method is selective, specific, good durable. It is suitable for structure confirmation, detection and control of impurities in esomeprazole sodium for injection.

Shandong Huagong 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, Synthetic Route of 161796-78-7.

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

Ren, Fei published the artcileGreen synthesis of acetylated maize starch in different imidazolium carboxylate and choline carboxylate ionic liquids, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is Carbohydrate Polymers (2022), 119353, database is CAplus and MEDLINE.

This work demonstrates that acetylated maize starches (AMS) with varied degree of substitution (DS, 0.26-2.63) was synthesized in ionic liquids (ILs) (imidazolium chloride, imidazolium carboxylate and choline carboxylate) at 85°C without catalyst. The DS of AMS and reaction efficiency increased with decreasing alkyl chain length of cations or anions, while decreased as the choline cation replaced the imidazolium cation and the chloride anion replaced the acetate anion. The AMS synthesized in imidazolium-based ILs exhibited much higher hydrophobicity and thermal stability than the native starch. Rheol. properties of ILs and ATR-FTIR anal. of acetic anhydride/ILs mixtures indicated that a shorter alkyl side chain or the combination of an imidazolium cation and an acetate anion gave ILs lower viscosities and weaker interactions between acetic anhydride mols., which favored the acetylation of starch. These findings provide insights into the design of green processes to modify starch and the application of acetylated starch.

Carbohydrate Polymers 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, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

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

Liu, Feng published the artcileBiocompatible SuFEx Click Chemistry: Thionyl Tetrafluoride (SOF₄)-Derived Connective Hubs for Bioconjugation to DNA and Proteins, Synthetic Route of 359860-27-8, the publication is Angewandte Chemie, International Edition (2019), 58(24), 8029-8033, database is CAplus and MEDLINE.

The authors report here the development of a suite of biocompatible SuFEx transformations from the SOF₄-derived iminosulfur oxydifluoride hub in aqueous buffer conditions. These biocompatible SuFEx reactions of iminosulfur oxydifluorides (R-N=SOF₂) with primary amines give sulfamides (8 examples, up to 98%), while the reaction with secondary amines furnish sulfuramidimidoyl fluoride products (8 examples, up to 97%). Likewise, under mild buffered conditions, phenols react with the iminosulfur oxydifluorides (Ar-N=SOF₂) to produce sulfurofluoridoimidates (13 examples, up to 99%), which can themselves be further modified by nucleophiles. These transformations open the potential for asym. and trisubstituted linkages projecting from the sulfur(VI) center, including versatile S-N and S-O connectivity (9 examples, up to 94%). Finally, the SuFEx bioconjugation of iminosulfur oxydifluorides to amine-tagged single-stranded DNA and to BSA protein demonstrate the potential of SOF₄-derived SuFEx click chem. in biol. applications.

Angewandte Chemie, International Edition 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, Synthetic Route of 359860-27-8.

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

Guo, Chao published the artcileThermodynamic and economic comparison of extractive distillation sequences for separating methanol/dimethyl carbonate/water azeotropic mixtures, SDS of cas: 79917-90-1, the publication is Separation and Purification Technology (2022), 282(Part_B), 120150, database is CAplus.

The separation of di-Me carbonate (DMC)/methanol/water azeotropic mixtures has been a hot topic in the study of DMC synthesis process. In this work, the efficient organic solvent Me salicylate, ionic liquids (ILs) 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]), or 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([BMIM][NTf₂]) was employed to break azeotropic mixtures Interaction mechanisms between DMC/methanol/water and entrainers were revealed by sigma-profile. Energy and economic comparison of two alternative separation sequences including pre-separation integration with extractive-heterogeneous distillation and direct extractive distillation processes were investigated. The average relative deviations (ARD) were used to check the reliability of the NRTL model. The effect of high viscosity fluid on the mass transfer was analyzed from the perspective of the overall efficiency of column. For [BMIM][Cl], the separation mechanism is the formation of H-bond between [BMIM][Cl] and methanol/water. Direct extractive distillation process is superior to pre-separation integration with extractive-heterogeneous distillation process in terms of steam consumption, capital cost, mass transfer efficiency and total annual cost (TAC), and [BMIM][Cl]-based direct extractive distillation process is the best. This work provides a green and efficient separation route for replacing organic solvent-based process.

Separation and Purification Technology 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, SDS of cas: 79917-90-1.

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

Hu, Rong-Bin published the artcileDirect Allylic C-H Bond Activation To Synthesize [Pd(η³-cin)(IPr)Cl] Complex: Application in the Allylation of Oxindoles, Application In Synthesis of 258278-25-0, the publication is ACS Catalysis (2017), 7(11), 7400-7404, database is CAplus.

N-heterocyclic carbenes (NHCs) was uncovered as an efficient ligand in promoting allylic C-H bond functionlizations. Notably, the catalytic [Pd(η³-cin)(IPr)Cl] complex (where cin = cinnamyl) was formed in situ from direct C-H activation of allylic precursors, and was obtained by way of one-pot strategy with available IPr·HCl and allylbenzene. The catalyst exhibits high regioselectivity and stereoselectivity of the allylic C-H alkylation with oxindoles with a broad scope.

ACS Catalysis 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, Application In Synthesis of 258278-25-0.

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

Han, Xin published the artcileDiscovery of ARD-69 as a highly potent proteolysis targeting chimera (PROTAC) degrader of androgen receptor (AR) for the treatment of prostate cancer, Recommanded Product: N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide, the publication is Journal of Medicinal Chemistry (2019), 62(2), 941-964, database is CAplus and MEDLINE.

We report herein the discovery of highly potent PROTAC degraders of androgen receptor (AR), as exemplified by IARD-69. I induces degradation of AR protein in AR-pos. prostate cancer cell lines in a dose- and time-dependent manner. I achieves DC₅₀ values of 0.86, 0.76, and 10.4 nM in LNCaP, VCaP, and 22Rv1 AR+ prostate cancer cell lines, resp. I is capable of reducing the AR protein level by >95% in these prostate cancer cell lines and effectively suppressing AR-regulated gene expression. I potently inhibits cell growth in these AR-pos. prostate cancer cell lines and is >100 times more potent than AR antagonists. A single dose of I effectively reduces the level of AR protein in xenograft tumor tissue in mice. Further optimization of I may ultimately lead to a new therapy for AR+, castration-resistant prostate cancer.

Journal of Medicinal Chemistry 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, Recommanded Product: N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide.

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

Yue, Yuxue published the artcileRegulation of the liquid-solid interface of Cs catalysts for the synthesis of 1,1-Dichloroethylene from 1,1,2-Trichloroethane, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is Applied Surface Science (2022), 154033, database is CAplus.

There remain considerable challenges for Cs-based catalysts in gas-phase dehydrochlorination of 1,1,2-trichloroethane (TCE) due to their poor catalytic performance and harsh reaction temperature requirements. In this work, we report a novel supported ionic liquid (IL) phase Cs-based system and evaluate its catalytic performance and mechanism, combining the kinetic and DFT calculations The optimal Cs-IL/SiO₂ catalyst achieved the TCE conversion of 60% and the selectivity to 1,1-Dichloroethylene (VDC) of 86% under the mild temperature of 200°C. It is demonstrated that IL additives can significantly improve the dispersion of Cs species during the catalyst preparation and evaluation process. Moreover, IL promotes the activation of TCE and enhances the desorption efficiency of HCl, which is the main reason for its high activity. The selectivity is improved by changing the adsorption behaviors of the products, which ensures the preferential formation of the main product VDC. The enhanced activity and selectivity of Cs-IL/SiO₂ suggest a promising candidate for dehydrochlorination reaction.

Applied Surface Science 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 C3H5BN2O2, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

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

Nie, Chenyao published the artcileMultifunctional Assembly of Micrometer-Sized Colloids for Cell Sorting, Recommanded Product: N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide, the publication is Small (2015), 11(21), 2555-2563, database is CAplus and MEDLINE.

Compared to the extensively studied nanometer-sized colloids, less attention has been paid to the assembly of micrometer-sized colloids with multifunctional characteristics. To address this need, a bottom-up approach is developed for constructing self-assemblies of micrometer-sized magnetic colloids possessing multifunctionality, including magnetic, optical, and biol. activities. Biotinylated oligo (p-phenylene vinylene) (OPV) derivatives are designed to mediate the self-assembly of streptavidin-modified magnetic beads. The optical element OPV derivatives provide a fluorescence imaging ability for tracing the assembly process. Target cells can be recognized and assembled by the colloidal assembly with bioactive element antibodies. The colloidal assembly reveals better cell isolation performance by its amplified magnetic response in comparison to monodisperse colloids. The self-assembly of micrometer-sized magnetic colloids through a combination of different functional ingredients to realize multifunction is conceptually simple and easy to achieve.

Small 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, Recommanded Product: N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide.

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

Tomita, Tatsunosuke published the artcileWithanolide Derivative 2,3-Dihydro-3β-methoxy Withaferin-A Modulates the Circadian Clock via Interaction with RAR-Related Orphan Receptor α (RORa), Formula: C18H34N4O5S, the publication is Journal of Natural Products (2021), 84(7), 1882-1888, database is CAplus and MEDLINE.

Withanolide derivatives have anticancer, anti-inflammatory, and other functions and are components of Indian traditional Ayurvedic medicine. Here, we found that 2,3-dihydro-3β-methoxy withaferin-A (3βmWi-A), a derivative of withaferin-A (Wi-A) belonging to a class of withanolides that are abundant in Ashwagandha (Withania somnifera), lengthened the period of the circadian clock. This compound dose-dependently elongated circadian rhythms in Sarcoma 180 cancer cells and in normal fibroblasts including NIH3T3 and spontaneously immortalized mouse embryonic fibroblasts (MEF). Furthermore, 3βmWi-A dose-dependently upregulated the mRNA expression and promoter activities of Bmal1 after dexamethasone stimulation and of the nuclear orphan receptors, Rora and Nr1d1, that comprise the stabilization loop for Bmal1 oscillatory expression. We showed that 3βmWi-A functions as an inverse agonist for RORa with an IC₅₀ of 11.3 μM and that 3βmWi-A directly, but weakly, interacts with RORa (estimated dissociation constant [K_d], 5.9 μM). We propose that 3βmWi-A is a novel modulator of circadian rhythms.

Journal of Natural Products 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 C6H5BN2O3, Formula: C18H34N4O5S.

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

Zdolsek, Nikola published the artcileBoosting electrocatalysis of oxygen reduction and evolution reactions with cost-effective cobalt and nitrogen-doped carbons prepared by simple carbonization of ionic liquids, Safety of 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is International Journal of Hydrogen Energy (2022), 47(33), 14847-14858, database is CAplus.

Development of cost-effective, bi-functional carbon electrocatalysts via direct carbonization of ionic liquids (bis(cholinium) tetrachlorocobaltate(II) ([Ch]₂[CoCl₄]) and bis(1-butyl-3-methylimidazolium) tetrachlorocobaltate(II) ([Bmim]₂[CoCl₄])) is reported herein for the first time. Carbon electrocatalysts, dual-doped with cobalt and nitrogen, were tested for oxygen reduction (ORR) and oxygen evolution (OER) reactions. Both materials show high bi-functional catalytic activity and excellent stability due to synergistic effects arising from the presence of nitrogen and cobalt. Electrocatalyst prepared by carbonization of [Ch]₂[CoCl₄] show exceptional activity and selectivity toward ORR. Conversely, electrocatalyst prepared from [Bmim]₂[CoCl₄] showed a slightly better OER performance indicating that different catalytic sites are responsible for O₂ reduction and H₂O oxidation Parent CoO particles with graphitic nitrogen boost activity for ORR, while elemental Co supported by nitrogen atoms is responsible for OER activity. Finally, energy consumption during electrolytic oxygen production was calculated revealing energy saving when using two materials as anode electrocatalysts.

International Journal of Hydrogen Energy 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 C18H20N2O12, Safety of 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

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