Category: 16681-56-4

In 2015,Gazzard, Lewis; Williams, Karen; Chen, Huifen; Axford, Lorraine; Blackwood, Elizabeth; Burton, Brenda; Chapman, Kerry; Crackett, Peter; Drobnick, Joy; Ellwood, Charles; Epler, Jennifer; Flagella, Michael; Gancia, Emanuela; Gill, Matthew; Goodacre, Simon; Halladay, Jason; Hewitt, Joanne; Hunt, Hazel; Kintz, Samuel; Lyssikatos, Joseph; Macleod, Calum; Major, Sarah; Medard, Guillaume; Narukulla, Raman; Ramiscal, Judi; Schmidt, Stephen; Seward, Eileen; Wiesmann, Christian; Wu, Ping; Yee, Sharon; Yen, Ivana; Malek, Shiva published 《Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1》.Journal of Medicinal Chemistry published the findings.SDS of cas: 16681-56-4 The information in the text is summarized as follows:

Checkpoint kinase 1 (ChK1) plays a key role in the DNA damage response, facilitating cell-cycle arrest to provide sufficient time for lesion repair. This leads to the hypothesis that inhibition of ChK1 might enhance the effectiveness of DNA-damaging therapies in the treatment of cancer. Lead compound 1 (GNE-783), the prototype of the 1,7-diazacarbazole class of ChK1 inhibitors, was found to be a highly potent inhibitor of acetylcholine esterase (AChE) and unsuitable for development. A campaign of analog synthesis established SAR delineating ChK1 and AChE activities and allowing identification of new leads with improved profiles. In silico docking using a model of AChE permitted rationalization of the observed SAR. Compounds 19 (GNE-900) and 30 (GNE-145) were identified as selective, orally bioavailable ChK1 inhibitors offering excellent in vitro potency with significantly reduced AChE activity. In combination with gemcitabine, these compounds demonstrate an in vivo pharmacodynamic effect and are efficacious in a mouse p53 mutant xenograft model. In the part of experimental materials, we found many familiar compounds, such as 2-Bromo-1H-imidazole(cas: 16681-56-4SDS of cas: 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. SDS of cas: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Li, Beibei; Guo, Ruixue; Tian, Jie; Wang, Zunyao; Qu, Ruijuan published an article in 2021. The article was titled 《New Findings of Ferrate(VI) Oxidation Mechanism from Its Degradation of Alkene Imidazole Ionic Liquids》, and you may find the article in Environmental Science & Technology.HPLC of Formula: 16681-56-4 The information in the text is summarized as follows:

Chem. reactivity, kinetics, degradation pathways and mechanisms, and ecotoxicity of the oxidation of 1-vinyl-3-ethylimidazolium bromide ([VEIm]Br), the most common alternative to organic solvents, by Fe(VI) (HFeO4-) were studied by lab experiments and theor. calculations Results show that Fe(VI) can efficiently remove VEIm through the dioxygen transfer-hydrolysis mechanism, which has not been reported yet. The reactivity of VEIm toward Fe(VI) mainly depends on the double bonds in the side chain of VEIm. The second-order rate constant for VEIm was 629.45 M-1 s-1 at pH 7.0 and 25°C. Typical water constituents, except for SO32-, Cl-, and Cu2+, had no obvious effects on the oxidation The oxidation products were determined by high-performance liquid chromatog. hybrid quadrupole time-of-flight mass spectrometry, which proves that there were interactions between the oxidation intermediates of the anion and cation parts of [VEIm]Br during the degradation process. The structures of related products and oxidation mechanisms were further rationalized by theor. calculations The ecotoxicity of products from the three oxidation pathways all showed a trend of increase after the initial decrease. We hope that the findings of this work can give researchers some new inspirations on Fe(VI) degradation of other alkene-containing contaminants. After reading the article, we found that the author used 2-Bromo-1H-imidazole(cas: 16681-56-4HPLC of Formula: 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. HPLC of Formula: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2014,D’Auria, Maurizio published 《A New Index for the Estimation of the Aromatic Character – IV》.Letters in Organic Chemistry published the findings.Safety of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

The new aromaticity index based on the energy of π orbitals D = {[π1 +Σ2n (π1 – πn )]0 /[π1 +Σ2n (π1 – πn)]} × a , where n are the number of occupied π-orbitals and a is the number of cycles in the mol., was used in the calculation of the aromatic character of substituted pentaat. heterocyclic compounds Calculations have been performed on aromatic and heteroaromatic compounds by using DFT method at B3LYP/6-311+G(d,p) level. The D values were compared with those obtained performing the calculation of Aromatic Stabilization Energy (ASE) and Isomerization Stabilization Energy (ISE) of the same compounds In all the cases, a good correlation has been found. In the experiment, the researchers used 2-Bromo-1H-imidazole(cas: 16681-56-4Safety of 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Safety of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,St-Jean, Frederic; Angelaud, Remy; Bachmann, Stephan; Carrera, Diane E.; Remarchuk, Travis; Piechowicz, Katarzyna A.; Niedermann, Katrin; Iding, Hans; Meier, Roland; Hou, Haiyun; Sirois, Lauren E.; Xu, Jie; Olbrich, Martin; Rege, Pankaj; Guillemot-Plass, Maud; Gosselin, Francis published an article in Journal of Organic Chemistry. The title of the article was 《Stereoselective Synthesis of the IDO Inhibitor Navoximod》.COA of Formula: C3H3BrN2 The author mentioned the following in the article:

A highly efficient asym. synthesis of the IDO inhibitor navoximod, featuring the stereoselective installation of two relative and two absolute stereocenters from an advanced racemic intermediate, was described. The stereocenters were set via a crystallization-induced dynamic resolution along with two selective ketone reductions: one via a biocatalytic ketoreductase transformation and one via substrate-controlled hydride delivery from LiAlH(Ot-Bu)3. Following this strategy, navoximod were synthesized in 10 steps from 2-fluorobenzaldehyde and isolated in 23% overall yield with 99.8% ee and high purity. The experimental part of the paper was very detailed, including the reaction process of 2-Bromo-1H-imidazole(cas: 16681-56-4COA of Formula: C3H3BrN2)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. COA of Formula: C3H3BrN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Computed Properties of C3H3BrN2In 1993 ,《QSAR’s from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods》 appeared in Journal of Medicinal Chemistry. The author of the article were Good, Andrew C.; Peterson, Stephen J.; Richards, W. Graham. The article conveys some information:

It has recently been shown that good quant. structure-activity relationships can be obtained through statistical anal. of mol. similarity matrixes. Here we extend the technique to seven addnl. mol. series, previously studied using Comparative Mol. Field Anal. (CoMFA) methodol. The results are used to confirm technique applicability across a wider range of QSAR problems and to compare quant. the ability of various similarity indexes to describe biol. systems. The relative merits of this technique in comparison to CoMFA are discussed. In addition to this study using 2-Bromo-1H-imidazole, there are many other studies that have used 2-Bromo-1H-imidazole(cas: 16681-56-4Computed Properties of C3H3BrN2) was used in this study.

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Computed Properties of C3H3BrN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1996,Silverman, B. D.; Platt, Daniel. E. published 《Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition》.Journal of Medicinal Chemistry published the findings.Quality Control of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

3D-QSAR procedures utilize descriptors that characterize mol. shape and charge distributions responsible for the steric and electrostatic nonbonding interactions intimately involved in ligand-receptor binding. Comparative mol. moment anal. (CoMMA) utilizes moments of the mol. mass and charge distributions up to and including second order in the development of mol. similarity descriptors. As a consequence, two Cartesian reference frames are then defined with respect to each mol. structure. One frame is the principal inertial axes calculated with respect to the center-of-mass. For neutrally charged mol. species, the other reference frame is the principal quadrupolar axes calculated with respect to the mol. “”center-of-dipole””. QSAR descriptors include quantities that characterize shape and charge independently as well as quantities that characterize their relationship. 3D-QSAR partial least squares (PLS) cross-validation procedures are utilized to predict the activity of several training sets of mols. previously investigated. This is the first time that mol. electrostatic quadrupolar moments have been utilized in a 3D-QSAR anal., and it is shown that descriptors involving the quadrupolar moments and related quantities are required for the significant cross-validated predictive r2’s obtained. CoMMA requires no superposition step, i.e., no step requiring a comparison between two mols. at any stage of the 3D-QSAR calculation2-Bromo-1H-imidazole(cas: 16681-56-4Quality Control of 2-Bromo-1H-imidazole) was used in this study.

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Quality Control of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2003,Weiss, Andre; Barba, Victor; Pritzkow, Hans; Siebert, Walter published 《Synthesis, structures and reactivity of macrocyclic imidazolylboranes》.Journal of Organometallic Chemistry published the findings.Application In Synthesis of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

New macrocyclic substituted imidazolylboranes [(imidazol-1-yl)BR12]n, where n = 4 or 5, were obtained from 1-trimethylsilylimidazoles and haloboranes XB(R1)2 by boron/silicon exchange starting from 2-bromoimidazole and benzimidazole. Reaction of 2-bromo-1-trimethylsilylimidazole with H2BCl gave cyclic [C3H2BrN2-BH2]4 (2d) whereas the condensation of unsubstituted 2-bromoimidazole with H2BCl gave dihydroboratobis(2-bromo-3-imidazolium) chloride (3d), which can be converted to 2d by reaction with excess of BH3·THF. Benzimidazole was converted to analogous tetramer [C7H5N2-BH2]4 (2e) by the same reaction sequence via dihydroboratobis(3-benzimidazolium) chloride intermediate (3e). Condensation of 1-trimethylsilylimidazole with R1BCl2 afforded chloro-containing macrocycles [C3H3N2-BClR1]n (2f, 2g’; R1 = iPr2N, H; n = 4, 5, resp.). These macrocycles are formally zwitterionic and contain imidazolyl rings linked through their nitrogen atoms by BH2, B(R1)2 or BR1X units. Despite the steric demand of these derivatives tetrameric macrocycles are formed. The x-ray structures of 2d and 3d, and also of [C3H3N2-BH2]4 (2a), [C3H3N2-BH2]5 (2a’) and [C3H3N2-BMe2]4 (2b) are reported. In the experimental materials used by the author, we found 2-Bromo-1H-imidazole(cas: 16681-56-4Application In Synthesis of 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Application In Synthesis of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Mortada, Boushra; Chaplais, Gerald; Veremeienko, Vasyl; Nouali, Habiba; Marichal, Claire; Patarin, Joel published 《Energetic performances of ZIF-8 derivatives: Impact of substitution (Me, Cl, or Br) on imidazolate linker》.Journal of Physical Chemistry C published the findings.Product Details of 16681-56-4 The information in the text is summarized as follows:

The energetic performances of three isomorphic ZIF materials, i.e., ZIF-8_CH3 (Basolite Z1200), ZIF-8_Cl, and ZIF-8_Br, of SOD topol. are studied with high-pressure intrusion-extrusion experiments using water and aqueous electrolyte solutions (KCl 4 M and LiCl 20 M) as nonwetting liquids This work represents an important progress in the field of energetic applications, as the “”ZIF-8_Cl-LiCl 20 M”” system exhibits a spring behavior with a stored energy of 77 J g-1. To the best of our knowledge, this is the highest value for the stored energy obtained using intrusion-extrusion experiments Exptl. results reveal that the intrusion pressure increases with the addition of electrolytes. The systems evolve from a bumper to a shock-absorber or spring behavior with the decrease in the strength of the interactions between the cation of the salt and the imidazolate linker. This explains the bumper or rather the shock-absorber behavior observed for the “”ZIF-8_Br-KCl 4 M”” and “”ZIF-8_CH3-LiCl 20 M”” systems compared to the spring behavior observed with the other systems reported in this work. In the experimental materials used by the author, we found 2-Bromo-1H-imidazole(cas: 16681-56-4Product Details of 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Product Details of 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Chaplais, Gerald; Fraux, Guillaume; Paillaud, Jean-Louis; Marichal, Claire; Nouali, Habiba; Fuchs, Alain H.; Coudert, Francois-Xavier; Patarin, Joel published 《Impacts of the Imidazolate Linker Substitution (CH3, Cl, or Br) on the Structural and Adsorptive Properties of ZIF-8》.Journal of Physical Chemistry C published the findings.HPLC of Formula: 16681-56-4 The information in the text is summarized as follows:

Zeolitic Imidazolate Frameworks (ZIFs) represent a thriving subclass of metal-organic frameworks (MOFs) owing to the large variety of their topologies, of which some of them are common with zeolites, and the ability to modulate the chem. of their frameworks as well as the hydrophobicity/hydrophilicity balance, making them perfect examples of the isoreticular chem. concept. One peculiar structural feature of ZIFs is their potential for structural transitions by rotation (or swing) of their linkers under external stimuli (guest adsorption, mech. constraints, etc.). This singular characteristic, often denominated “”swing effect”” or “”gate opening””, is related to flexible ZIFs. Our study focuses on the influence of the functional group (-CH3, -Cl, -Br) borne in position 2 by the imidazolate linker on the flexible/stiff nature of three isoreticular ZIFs with SOD topol. In the first part, we report the structures of ZIF-8_Cl and ZIF-8_Br, two halogenated analogs of the well-known ZIF-8 (herein named ZIF-8_CH3), thanks to synergistic contributions of powder X-ray diffraction and 13C MAS NMR spectroscopy. In both cases, a disorder of the linker is noted and characterized by two quasi-equal occupancies of the two linker subsets in the asym. unit. Exptl. nitrogen sorption measurements, performed at 77 K for the three isoreticular ZIFs, combined with first-principles mol. dynamics simulations bring to light the flexibility of ZIF-8_CH3 and ZIF-8_Cl and the stiffness of ZIF-8_Br.2-Bromo-1H-imidazole(cas: 16681-56-4HPLC of Formula: 16681-56-4) was used in this study.

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. HPLC of Formula: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wannberg, Johan; Gising, Johan; Lindman, Jens; Salander, Jessica; Gutierrez-de-Teran, Hugo; Ablahad, Hanin; Hamid, Selin; Groenbladh, Alfhild; Spizzo, Iresha; Gaspari, Tracey A.; Widdop, Robert E.; Hallberg, Anders; Backlund, Maria; Lesniak, Anna; Hallberg, Mathias; Larhed, Mats published their research in Bioorganic & Medicinal Chemistry in 2021. The article was titled 《N-(Methyloxycarbonyl)thiophene sulfonamides as high affinity AT2 receptor ligands》.Application In Synthesis of 2-Bromo-1H-imidazole The article contains the following contents:

A series of meta-substituted acetophenone derivatives, encompassing N-(alkyloxycarbonyl)thiophene sulfonamide fragments have been synthesized. Several selective AT2 receptor ligands were identified, among those a tert-butylimidazole derivative (20) with a Ki of 9.3 nM, that demonstrates a high stability in human liver microsomes (t1/2 = 62 min) and in human hepatocytes (t1/2 = 194 min). This methyloxycarbonylthiophene sulfonamide is a 20-fold more potent binder to the AT2 receptor and is considerably more stable in human liver microsomes, than a previously reported and broadly studied structurally related AT2R prototype antagonist 3 (C38). Ligand 20 acts as an AT2R agonist and caused an AT2R mediated concentration-dependent vasorelaxation of pre-contracted mouse aorta. Furthermore, in contrast to imidazole derivative C38, the tert-butylimidazole derivative 20 is a poor inhibitor of CYP3A4, CYP2D6 and CYP2C9. It is demonstrated herein that smaller alkyloxycarbonyl groups make the ligands in this series of AT2R selective compounds less prone to degradation and that a high AT2 receptor affinity can be retained after truncation of the alkyloxycarbonyl group. Binding modes of the most potent AT2R ligands were explored by docking calculations combined with mol. dynamics simulations. In the part of experimental materials, we found many familiar compounds, such as 2-Bromo-1H-imidazole(cas: 16681-56-4Application In Synthesis of 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Application In Synthesis of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem