Category: imidazoles-derivatives

Purschke, Kirsten published the artcileEvaluation of Nontarget Long-Term LC-HRMS Time Series Data Using Multivariate Statistical Approaches, COA of Formula: C11H8ClN3, the publication is Analytical Chemistry (Washington, DC, United States) (2020), 92(18), 12273-12281, database is CAplus and MEDLINE.

The use of liquid chromatog. coupled with high-resolution mass spectrometry (LC-HRMS) has steadily increased in many application fields ranging from metabolomics to environmental science. HRMS data are frequently used for nontarget screening (NTS), i.e., the search for compounds that are not previously known and where no reference substances are available. However, the large quantity of data produced by NTS anal. workflows makes data interpretation and time-dependent monitoring of samples very sophisticated and necessitates exploiting chemometric data processing techniques. Consequently, a prioritization method to handle time series in nontarget data was established. As proof of concept, industrial wastewater was studied. As routine industrial wastewater analyses monitor the occurrence of a limited number of targeted water contaminants, NTS provides the opportunity to detect also unknown trace organic compounds (TrOCs) that are not in the focus of routine target anal. The developed prioritization method enables reducing raw data and including identification of prioritized unknown contaminants. To that end, a five-month time series for industrial wastewaters was used, analyzed by liquid chromatog.-time-of-flight mass spectrometry (LC-qTOF-MS), and evaluated by NTS. Following peak detection, alignment, grouping, and blank subtraction, 3303 features were obtained of wastewater treatment plant (WWTP) influent samples. Subsequently, two complementary ways for exploratory time trend detection and feature prioritization are proposed. Therefore, following a prefiltering step, featurewise principal component anal. (PCA) and groupwise PCA (GPCA) of the matrix (temporal wise) were used to annotate trends of relevant wastewater contaminants. With sparse factorization of data matrixes using GPCA, groups of correlated features/mass fragments or adducts were detected, recovered, and prioritized. Similarities and differences in the chem. composition of wastewater samples were observed over time to reveal hidden factors accounting for the structure of the data. The detected features were reduced to 130 relevant time trends related to TrOCs for identification. Exemplarily, as proof of concept, one nontarget pollutant was identified as N-methylpyrrolidone. The developed chemometric strategies of this study are not only suitable for industrial wastewater but also could be efficiently employed for time trend exploration in other scientific fields.

Analytical Chemistry (Washington, DC, United States) published new progress about 120118-14-1. 120118-14-1 belongs to imidazoles-derivatives, auxiliary class Imidazole,Chloride,Nitrile,Benzene, name is 4-Chloro-5-(p-tolyl)-1H-imidazole-2-carbonitrile, and the molecular formula is C11H8ClN3, COA of Formula: C11H8ClN3.

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

Pini, J. J. P. B. published the artcileDegranulation of rat mesentery mast cells by antihistamines: influence of ionization, Application In Synthesis of 2508-72-7, the publication is Agents and Actions (1978), 8(5), 491-6, database is CAplus and MEDLINE.

Classical antihistamines were potent rat mast cell degranulators active in the range of 0.1 to 2.0 mM at pH 8.4. No relation between their potency as mast cell degranulators and their chem. structure or their activity as inhibitors of peripheral H₁ histamine receptors could be established. Halogenation of diphenhydramine-HCl [147-24-0] and cyclizine-HCl [303-25-3], but not of promethazine [60-87-7], increased their activity. The alkylamino side chain of phenothiazine does not seem to be essential for degranulation since toluidine blue [92-31-9] and methylene blue [61-73-4], which lack it, were also active. Thionin [581-64-6], whose amino groups in the phenothiazine ring are not methylated, was inactive. The action of antihistamines on mast cells increased with an increase of pH, suggesting that activity can mainly be attributed to the uncharged base. However, the ionized mol. must be active at lower pH too. Above certain concentrations, antihistamines became inactive both at pH 7.0 and 8.4. At these higher concentrations, promethazine inhibited degranulation induced by chlorcyclizine or compound 48/80, an action not reversed by glucose. Thus, mast cell degranulation by antihistamines does not seem to be caused by the ionized base acting inside the cell following penetration of the cell membrane by the lipid soluble uncharged mol.

Agents and Actions 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

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

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

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

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

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

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

Paisley, Nathan R. published the artcileSynthesis of polymeric organic semiconductors using semifluorinated polymer precursors, COA of Formula: C19H14N2, the publication is Journal of Polymer Science, Part A: Polymer Chemistry (2018), 56(19), 2183-2191, database is CAplus.

The transesterification of 1,1,1,3,3,3-hexafluoroisopropyl acrylate (HFIPA) homopolymers and block copolymers with Me acrylate (MA) or Bu acrylate (n-BuA) were investigated for the efficient synthesis of p-type and n-type organic semiconductor acrylates. HFIPA, MA, and n-BuA are readily prepared in a one-pot synthesis by Cu(0) reversible deactivation radical polymerization in high yield with low dispersity to give poly(HFIPA)₁₀₀, PMA₁₀₀-b-poly(HFIPA)_x, and PnBuA₁₀₀-b-poly(HFIPA)_x (x = 100, 50,25). The transesterification of poly(HFIPA)₁₀₀ was also studied using ¹⁹F NMR spectroscopy. Based on this method, a series of eight homopolymers and three copolymers based on semiconductor motifs commonly found in organic light-emitting diodes, organic thin-film transistors, and organic photovoltaics were synthesized with narrow dispersity and conversions up to 99%. These experiments demonstrate that poly(HFIPA) can provide a useful building block in the synthesis of organic electronic materials, providing a simpler route to complex materials which may be challenging to access directly via controlled radical polymerization © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018.

Journal of Polymer Science, Part A: Polymer 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, COA of Formula: C19H14N2.

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

Rzhevskiy, Sergey A. published the artcileNew expanded-ring NHC platinum(0) complexes: Synthesis, structure and highly efficient diboration of terminal alkenes, Safety of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, the publication is Journal of Organometallic Chemistry (2020), 121140, database is CAplus.

The synthesis and structural characterization of novel Pt(0) complexes are reported. A number of (NHC)Pt(dvtms) (dvtms = 1,3-divinyl-1,1,3,3-tetramethyldisiloxane) complexes were studied in catalytic addition of B₂Pin₂ to terminal alkenes. The novel expanded ring N-heterocyclic carbene complex (7-Dipp)Pt(dvtms) showed highest performance, turnover numbers up to 3800 were achieved. The scope of the reaction was illustrated by 20 examples with a variety of alkyl, alkoxy, halogen, ester, ketone and acetal substituents.

Journal of Organometallic Chemistry 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, Safety of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride.

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