Category: 16681-56-4

In 2010,Truong, Anh P.; Aubele, Danielle L.; Probst, Gary D.; Neitzel, Martin L.; Semko, Chris M.; Bowers, Simeon; Dressen, Darren; Hom, Roy K.; Konradi, Andrei W.; Sham, Hing L.; Garofalo, Albert W.; Keim, Pamela S.; Wu, Jing; Dappen, Michael S.; Wong, Karina; Goldbach, Erich; Quinn, Kevin P.; Sauer, John-Michael; Brigham, Elizabeth F.; Wallace, William; Nguyen, Lan; Hemphill, Susanna S.; Bova, Michael P.; Bard, Frederique; Yednock, Ted A.; Basi, Guriqbal published 《Design, synthesis, and structure-activity relationship of novel orally efficacious pyrazole/sulfonamide based dihydroquinoline γ-secretase inhibitors. [Erratum to document cited in CA151:448310]》.Bioorganic & Medicinal Chemistry Letters published the findings.Name: 2-Bromo-1H-imidazole The information in the text is summarized as follows:

The names Frederique Bard and Ted A. Yednock were omitted from the author line on page 4920. The corrected author line, including the affiliations of the omitted authors, is given.2-Bromo-1H-imidazole(cas: 16681-56-4Name: 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. Name: 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

HPLC of Formula: 16681-56-4In 2015 ,《1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as potent GR antagonists with reduced hERG inhibition and an improved pharmacokinetic profile》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Hunt, Hazel J.; Belanoff, Joseph K.; Golding, Emily; Gourdet, Benoit; Phillips, Timothy; Swift, Denise; Thomas, Jennifer; Unitt, John F.; Walters, Iain. The article conveys some information:

The authors report the further optimization of the series 1H-pyrazolo[3,4-g]hexahydro-isoquinoline sulfonamides as GR antagonists. By incorporating a heteroaryl ketone group at the ring junction, the authors have obtained compounds with excellent functional GR antagonism. Optimization of the sulfonamide substituent has provided compounds with a very desirable overall profile, e.g. I, including minimal hERG activity, good bioavailability and in vivo efficacy. 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

HPLC of Formula: 16681-56-4In 2015 ,《1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as potent GR antagonists with reduced hERG inhibition and an improved pharmacokinetic profile》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Hunt, Hazel J.; Belanoff, Joseph K.; Golding, Emily; Gourdet, Benoit; Phillips, Timothy; Swift, Denise; Thomas, Jennifer; Unitt, John F.; Walters, Iain. The article conveys some information:

The authors report the further optimization of the series 1H-pyrazolo[3,4-g]hexahydro-isoquinoline sulfonamides as GR antagonists. By incorporating a heteroaryl ketone group at the ring junction, the authors have obtained compounds with excellent functional GR antagonism. Optimization of the sulfonamide substituent has provided compounds with a very desirable overall profile, e.g. I, including minimal hERG activity, good bioavailability and in vivo efficacy. 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 2013,Tugsuz, Tugba published 《A DFT study on the standard electrode potentials of 2-substituted imidazoles》.International Journal of Quantum Chemistry published the findings.SDS of cas: 16681-56-4 The information in the text is summarized as follows:

Extensive d. functional theory, calculations, with optimization of geometries and estimation of substituent effects, have been performed to investigate the electrode potentials of dimer and protonated cation structures of 2-substituted imidazoles. The gas phase geometries of dimer, anion, protonated cation, and neutral structures of 2-substituted imidazoles have been optimized using Boese-Martin for kinetics (BMK) and the Minnesota 2005 (M05) hybrid functionals combined with the valence triple-ζ quality with polarization function (TZVP) basis set. The geometries in the presence of acetonitrile solvent have been optimized using the conductor-like polarizable continuum model model of solvation at the same levels of theory. Frequency calculations have been performed for all the structures and none of them is found to exhibit any imaginary frequency. N-H—H IR harmonic frequencies have been calculated and compared with available exptl. data. The substituent effects on the electrode potentials of imidazole have been investigated as electron donating -CH3, -OH, -NH2, -OCH3 and electron withdrawing -NO2, -Cl, -F, -Br groups, which are bonded to the second numbered carbon atom of the imidazole mol. It has been found that electron donating substituents show more neg. electrode potentials, whereas electron withdrawing substituents have the opposite effect. 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

In 1985,Catalan, Javier; Menendez, Margarita; Elguero, Jose published 《On the relationships between basicity and acidity in azoles》.Bulletin de la Societe Chimique de France published the findings.Recommanded Product: 16681-56-4 The information in the text is summarized as follows:

A linear relation between both acidic and basic pKa values is shown for a large collection of imidazoles, benzimidazoles, 1,2,4-triazoles and tetrazoles. Surprisingly, pyrazoles fall on a parallel line, separated from the preceding one by 3.1 pKa units; pyrazoles, and probably 1,2,3-triazoles, are less basic than the other azoles. The experimental part of the paper was very detailed, including the reaction process of 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 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. Recommanded Product: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1923,King, Harold; Murch, Wm. O. published 《Bromination of glyoxaline-4-carboxanilide》.Journal of the Chemical Society, Transactions published the findings.SDS of cas: 16681-56-4 The information in the text is summarized as follows:

The object of this investigation was the preparation of 4-bromoglyoxaline-5-carboxylic acid (I) with the view of synthesizing xanthine by condensation of the ester with CO(NH2)2. The acid was obtained but the small yields have prevented attempts at the condensation. Two mols. Br react with glyoxaline-4-carboxanilide in glacial AcOH, giving a mixture of mono-, di- and tri-Br derivatives This is extracted with H2O on the boiling H2O bath. The aqueous solution deposits glyoxaline-4-carbox-p-bromoanilide, crystallizing from AcOH with 2 AcOH of crystallization, lost at 100° and then m. 273-4°. Hydrolysis gives I. 5-Bromoglyoxaline-4-carbox-p-bromoanilide (II), m. 245-6°, is then extracted with very dilute HCl. The residue is the 2,5-dibromo derivative (III), C10H6ON3Br3, which crystallines with 1 C2H4O2, and m. 257-8° (decomposition). Hydrolysis of III with HCl (sealed tube at 150° for 3 hrs.) gave p-BrC6H4NH2, and a mixture containing about 95% dichloro- and 5% dibromoglyoxaline, m. 184-5°. Hydrolysis of III with HBr gave a mixture of the 2,5-Br2 derivative and 2-bromoglyoxaline, m. 207°; Pauly’s reagent gives a deep orange color; picrate, yellow, m. 232° (decomposition); nitrate, decomposes violently 137°. 2,5-Dibromoglyoxaline nitrate-silver nitrate, 2C3H2N2Br2.AgNO3.HNO3. II is soluble in about 6 parts boiling AcOH. It is mixed with a very small amount of a compound containing about 50% Br and m. 247°. Hydrolysis of II with 24% HBr gives p-BrC6H4NH2 and 5-bromoglyoxaline-4-carboxylic acid, m. 265°, soluble in 50 parts boiling H2O, and forms a hydrochloride, nitrate, Ag salt, and gives a deep orange color with Pauly’s reagent. Et ester, m. 170-1°. With 30% HBr some 4-bromoglyoxaline was also isolated. Bromination of II gave III with some of the compound m. 247°. The results came from multiple reactions, including the reaction of 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

COA of Formula: C3H3BrN2In 2006 ,《QSAR models based on quantum topological molecular similarity》 appeared in European Journal of Medicinal Chemistry. The author of the article were Popelier, P. L. A.; Smith, P. J.. The article conveys some information:

A new method called quantum topol. mol. similarity (QTMS) was fairly recently proposed [J. Chem. Inf. Comp. Sc., 41, 2001, 764] to construct a variety of medicinal, ecol. and phys. organic QSAR/QSPRs. QTMS method uses quantum chem. topol. (QCT) to define electronic descriptors drawn from modern ab initio wave functions of geometry-optimized mols. It was shown that the current abundance of computing power can be utilized to inject realistic descriptors into QSAR/QSPRs. In this article the authors study seven datasets of medicinal interest: the dissociation constants (pKa) for a set of substituted imidazolines, the pKa of imidazoles, the ability of a set of indole derivatives to displace [3H] flunitrazepam from binding to bovine cortical membranes, the influenza inhibition constants for a set of benzimidazoles, the interaction constants for a set of amides and the enzyme liver alc. dehydrogenase, the natriuretic activity of sulfonamide carbonic anhydrase inhibitors and the toxicity of a series of benzyl alcs. A partial least square anal. in conjunction with a genetic algorithm delivered excellent models. They are also able to highlight the active site, of the ligand or the mol. whose structure determines the activity. The advantages and limitations of QTMS are discussed. 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

In 2008,Angell, Richard M.; Angell, Tony D.; Bamborough, Paul; Brown, David; Brown, Murray; Buckton, Jacky B.; Cockerill, Stuart G.; Edwards, Chris D.; Jones, Katherine L.; Longstaff, Tim; Smee, Penny A.; Smith, Kathryn J.; Somers, Don O.; Walker, Ann L.; Willson, Malcolm published 《Biphenyl amide p38 kinase inhibitors. 2: Optimization and SAR》.Bioorganic & Medicinal Chemistry Letters published the findings.Recommanded Product: 16681-56-4 The information in the text is summarized as follows:

The biphenyl amides are a novel series of p38 MAP kinase inhibitors. Structure-activity relationships of the series against p38α are discussed with reference to the x-ray crystal structure of an example. The series was optimized rapidly to a compound (I) showing oral activity in an in vivo disease model. After reading the article, we found that the author used 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 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. Recommanded Product: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2011,Abul Hashem, Md.; Sultana, Abeda published 《Synthesis of N-(2′-imidazolyl)-2-aminopyridyl palladium dichloride and its application as catalyst in Suzuki-Miyaura cross coupling reaction》.Journal of the Bangladesh Chemical Society published the findings.Synthetic Route of C3H3BrN2 The information in the text is summarized as follows:

The ligand N-(2′-imidazolyl)-2-aminopyridine was prepared from imidazole and it forms N-(2′-imidazolyl)-2-aminopyridyl palladium dichloride complex with Na2PdCl4 in methanol. The complex (1.5 mmol %) was used to prepare substituted biphenyls, terphenyls, and heterobiaryls in good to excellent yields via Suzuki-Miyaura cross-coupling reaction of substituted phenylboronic acids and substituted aryl chlorides, bromides and iodides. The experimental part of the paper was very detailed, including the reaction process of 2-Bromo-1H-imidazole(cas: 16681-56-4Synthetic Route of 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. Synthetic Route of C3H3BrN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Linker substituents control thermodynamic stability in metal organic frameworks》 was written by Novendra, Novendra; Marrett, Joseph M.; Katsenis, Athanassios D.; Titi, Hatem M.; Arhangelskis, Mihails; Friscic, Tomislav; Navrotsky, Alexandra. Formula: C3H3BrN2 And the article was included in Journal of the American Chemical Society in 2020. The article conveys some information:

We report the first systematic exptl. and theor. study of the relationship between the linker functionalization and the thermodn. stability of metal-organic frameworks (MOFs) using a model set of eight isostructural zeolitic imidazolate frameworks (ZIFs) based on 2-substituted imidazolate linkers. The frameworks exhibit a significant (30 kJ·mol-1) variation in the enthalpy of formation depending on the choice of substituent, which is accompanied by only a small change in molar volume. These energetics were readily reproduced by d. functional theory (DFT) calculations We show that these variations in the enthalpy of MOF formation are in linear correlation to the readily accessible properties of the linker substituent, such as the Hammett σ-constant or electrostatic surface potential. These results provide the first quantifiable relationship between the MOF thermodn. and the linker structure, suggesting a route to design and tune MOF stability. The results came from multiple reactions, including the reaction of 2-Bromo-1H-imidazole(cas: 16681-56-4Formula: 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. Formula: C3H3BrN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem