Category: imidazoles-derivatives

Sun, Sang-dun published the artcileHQSAR study and molecular design of benzimidazole derivatives as corrosion inhibitors, SDS of cas: 7467-35-8, the publication is Wuli Huaxue Xuebao (2013), 29(6), 1192-1200, database is CAplus.

Hologram quant. structure-activity relationship (HQSAR) anal. was conducted on a series of benzimidazole compounds to build the HQSAR model between corrosion inhibition properties and mol. structures in acid environment. The optimal HQSAR model was determined by investigating the influence of different fragment distinction and fragment size on the models, and the models stability and predictive ability were evaluated. The results show that the optimal HQSAR model was generated using atoms (A), bonds (B), connectivity (C), hydrogen (H), chirality (Ch), donor and acceptor (D&A) as fragment distinction and fragment size of 1-3. The model had a non-cross validated coefficient (r²) value of 0.996, a cross-validated (q²) value of 0.960, and a cross-validated standard error value of 3.709, which indicates good statistics stability and predictive power. On the basis of the maps derived from the optimal HQSAR model, 38 new benzimidazole derivatives were designed and screened using the optimal HQSAR model, giving potential candidates with high predictive inhibition efficiency. This work provides valuable information for further research and design of more promising corrosion inhibitors in the oil and gas field.

Wuli Huaxue Xuebao published new progress about 7467-35-8. 7467-35-8 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Alcohol, name is (1-Methyl-1H-benzo[d]imidazol-2-yl)methanol, and the molecular formula is C11H24O3, SDS of cas: 7467-35-8.

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

Du, Junyi published the artcileA novel manganese(III)-peroxo complex bearing a proline-derived pentadentate aminobenzimidazole ligand, Recommanded Product: 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, the publication is Chinese Chemical Letters (2018), 29(12), 1869-1871, database is CAplus.

Manganese(III)-peroxo complexes are invoked as key intermediates in the enzymic cycles of Mn-containing enzymes, and the synthesis of reactive manganese(III)-peroxo complexes with rationally designed ligand was of great interest in the communities of bioinorganic and biomimetic chem. Herein, the authors designed a novel pentadentate aminobenzimidazole ligand and obtained its manganese(II) complex, which was successfully applied in the synthesis of a reactive manganese(III)-peroxo complex by treatment with hydrogen peroxide in the presence of triethylamine. The manganese(III)-peroxo complex was well characterized with various spectroscopic techniques, including UV-visible spectrophotometry, cold-spray ionization time-of-flight mass spectrometry (CSI-TOF MS), and continuous wave ESR (CW-EPR) spectroscopy. Besides, its reactivity in aldehyde deformylation was studied, demonstrating second-order kinetics in the reaction with 2-phenylpropionaldehyde and affording acetophenone as the sole product.

Chinese Chemical Letters published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Recommanded Product: 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole.

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

Shen, Duyi published the artcileA Mononuclear Manganese Complex of a Tetradentate Nitrogen Ligand – Synthesis, Characterizations, and Application in the Asymmetric Epoxidation of Olefins, HPLC of Formula: 4760-35-4, the publication is European Journal of Inorganic Chemistry (2014), 2014(33), 5777-5782, database is CAplus.

A new chiral manganese complex (C1) bearing a tetradentate nitrogen ligand containing chiral bipyrrolidine and benzimidazole moieties was prepared The structure of C1 was confirmed by ESI-MS and crystallog. This manganese complex is an active catalyst for the asym. epoxidation of various olefins with excellent conversion (up to 99 %) and high enantiomeric excess (up to 96% ee) with hydrogen peroxide as the oxidant in the presence of 2-ethylhexanoic acid or acetic acid. Compared with previous structurally similar manganese complexes with different diamine backbones (C2, cyclohexanediamine; C3, diamine from L-proline), C1 showed improved asym. induction, especially for simple olefins such as styrene derivatives and substituted chromene. The possible reasons for the improvement of the ee values are discussed in the text on the basis of the crystal structures of the manganese complexes.

European Journal of Inorganic Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9BrO2, HPLC of Formula: 4760-35-4.

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

Shen, Duyi published the artcileEfficient Benzylic and Aliphatic C-H Oxidation with Selectivity for Methylenic Sites Catalyzed by a Bioinspired Manganese Complex, Application of 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, the publication is Organic Letters (2014), 16(4), 1108-1111, database is CAplus and MEDLINE.

A benzimidazole-based nonheme manganese complex efficiently catalyzes benzylic, aliphatic C-H as well as tertiary C-H oxidation with hydrogen peroxide as the oxidant in the presence of acetic acid as additive. For example, treating diphenylmethane with H₂O₂ in the presence of the catalyst gave benzophenone in 70% yield. ¹⁸O-Labeling experiments suggest the reaction may proceed via a high-valent manganese-oxo intermediate.

Organic Letters published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C8H14O2, Application of 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole.

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

Wang, Xiaoe published the artcileBioinspired Manganese and Iron Complexes with Tetradentate N Ligands for the Asymmetric Epoxidation of Olefins, Formula: C9H9ClN2, the publication is ChemCatChem (2013), 5(8), 2489-2494, database is CAplus.

The manganese and iron complexes I (M = Mn, Fe) with the tetradentate N ligand (1R,2R)-N,N’-dimethyl-N,N’-bis(1-methyl-2-benzimidazolylmethyl)cyclohexane-1,2-diamine have been synthesized and characterized. The crystal structure of the manganese complex demonstrates a cis-α configuration. Both the manganese and iron complexes are active catalysts for the asym. epoxidation of olefins, e.g. PhCH:CHCOPh, with H₂O₂ as an oxidant and acetic acid as an additive. Up to 96 % ee was observed for the epoxidation of α,β-unsaturated ketones at -20 °C.

ChemCatChem published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C26H26N4O7, Formula: C9H9ClN2.

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

Han, Shuaibing published the artcileResidue dissipation and dietary risk assessment of cyazofamid and its metabolite CCIM in garlic, garlic bolt and garlic sprout, Computed Properties of 120118-14-1, the publication is International Journal of Environmental Analytical Chemistry, database is CAplus.

The residue and dissipation dynamics of cyazofamid and its main metabolite 4-chloro-5-p-tolylimidazole-2-carbonitrile (CCIM) in garlic, garlic bolt and garlic sprouts were investigated by QuEChERS high-performance liquid chromatog.-tandem mass spectrometry method. Field experiments were conducted in 6 sites for one year. The dietary intake risk of cyazofamid was assessed. At different levels, the results showed that the average recoveries of cyazofamid were 89.8%-1005% in garlic, 84.6%-109.4% in garlic bolt and 88.6%-108.5% in garlic sprout, recoveries of CCIM were 84.6%-104.2% in garlic, 84.6%-108.9% in garlic bolt and 85.3%-109.2% in garlic sprout, resp., with relative standard deviation less than 10.1%. The limits of quantitation were all 0.01 mg/kg. The dissipation dynamics of cyazofamid and CCIM in garlic plant matrixes fitted the first order kinetic equation, and the half-lives were 3.5-6.1 d and 0.9-3.9 d, resp. The dietary intake risk assessment showed that the dietary exposure risk index of cyazofamid in garlic, garlic bolt and garlic sprout were less than 100%, which indicated that the dietary exposure risk was at an acceptable level.

International Journal of Environmental Analytical Chemistry 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, Computed Properties of 120118-14-1.

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

Bi, Yiling published the artcileRepurposing of Proton Pump Inhibitors as first identified small molecule inhibitors of endo-β-N-acetylglucosaminidase (ENGase) for the treatment of NGLY1 deficiency, a rare genetic disease, Name: Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, the publication is Bioorganic & Medicinal Chemistry Letters (2017), 27(13), 2962-2966, database is CAplus and MEDLINE.

N-Glycanase deficiency, or NGLY1 deficiency, is an extremely rare human genetic disease. N-Glycanase, encoded by the gene NGLY1, is an important enzyme involved in protein deglycosylation of misfolded proteins. Deglycosylation of misfolded proteins precedes the endoplasmic reticulum (ER)-associated degradation (ERAD) process. NGLY1 patients produce little or no N-glycanase (Ngly1), and the symptoms include global developmental delay, frequent seizures, complex hyperkinetic movement disorder, difficulty in swallowing/aspiration, liver dysfunction, and a lack of tears. Unfortunately, there has not been any therapeutic option available for this rare disease so far. Recently, a proposed mol. mechanism for NGLY1 deficiency suggested that endo-β-N-acetylglucosaminidase (ENGase) inhibitors may be promising therapeutics for NGLY1 patients. Herein, we performed structure-based virtual screening utilizing FDA-approved drug database on this ENGase target to enable repurposing of existing drugs. Several Proton Pump Inhibitors (PPIs), a series of substituted 1H-benzo [d] imidazole, and 1H-imidazo [4,5-b] pyridines, among other scaffolds, have been identified as potent ENGase inhibitors. An electrophoretic mobility shift assay was employed to assess the inhibition of ENGase activity by these PPIs. Our efforts led to the discovery of Rabeprazole Sodium as the most promising hit with an IC₅₀ of 4.47 ± 0.44 μM. This is the first report that describes the discovery of small mol. ENGase inhibitors, which can potentially be used for the treatment of human NGLY1 deficiency.

Bioorganic & Medicinal Chemistry Letters 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, Name: 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

Lavrova, Maria A. published the artcileCyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells, SDS of cas: 2622-67-5, the publication is Dalton Transactions (2020), 49(46), 16935-16945, database is CAplus and MEDLINE.

Cyclometalated Ru(II) complexes with 2-arylbenzimidazole antenna ligands bearing electron-donor/withdrawing substituents and anchoring 4,4-dimethoxycarbonyl-2,2-bipyridine have been prepared and their structure, optical and electrochem. properties have been studied. The complexes possess enhanced light-harvesting characteristics compared to those of the standard N719 dye and absorb light up to 750 nm. In addition, they demonstrate reversible redox behavior with Ru³⁺/Ru²⁺ potentials being finely tuned by the change of the electron-donating ability of cyclometalated ligands. After a mild hydrolysis of dimethoxycarbonyl groups the excellent optical properties of the complexes remain unchanged and they show good efficiency when tested in dye-sensitized solar cells.

Dalton Transactions 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, SDS of cas: 2622-67-5.

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

Perez, Viridiana published the artcileDicopper(II) complexes of chiral C₂-symmetric diamino-bis(2-methylpyridyl) and diamino-bis(2-methylbenzimidazolyl) ligands, HPLC of Formula: 4760-35-4, the publication is Inorganic Chemistry Communications (2011), 14(2), 389-391, database is CAplus.

Reaction of the chiral ligands (1S,4S)-2,5-bis(2-pyridylmethyl)-2,5-diazabicyclo[2.2.1]heptane (L¹), and (1S,4S)-2,5-bis(2-benzimidazolylmethyl)-2,5-diazabicyclo[2.2.1]heptane (L²) with Cu(II) acetate results in the hydroxo-bridged dicopper complexes [(L¹)Cu₂(μ-OH)(H₂O)(OAc)₂Cl] (1-Cl,H₂O), and [(L²)Cu(μ-OH)(H₂O)(MeOH)(OAc)₂]OAc (2-H₂O,MeOH). Both chiral complexes were characterized spectroscopically, as well as in the solid state by x-ray crystallog. Crystal data of 1-Cl,H₂O: monoclinic, P2₁, a = 9.861(1), b = 8.9138(1), c = 15.38(2) Å, β = 95.387(2)°, Z = 2, 4907 independent reflections, R₁[I â‰?2σ(I)] = 0.0405, wR(F²) = 0.0897; of 2-H₂O,MeOH: orthorhombic, P2₁2₁2₁, a = 11.3501(12), b = 15.2063(16), c = 23.227(2) Å, Z = 4, 7305 independent reflections, R₁[I â‰?2σ(I)] = 0.0491, wR(F²) = 0.0987.

Inorganic Chemistry Communications published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, HPLC of Formula: 4760-35-4.

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

Casella, Luigi published the artcileFunctional Modeling of Tyrosinase. Mechanism of Phenol ortho-Hydroxylation by Dinuclear Copper Complexes, Category: imidazoles-derivatives, the publication is Inorganic Chemistry (1996), 35(26), 7516-7525, database is CAplus.

The copper-mediated oxygenation of Me 4-hydroxybenzoate in acetonitrile has been investigated by employing a series of dinuclear copper(I) complexes with polybenzimidazole ligands. The reaction mimics the activity of the copper enzyme tyrosinase, since the initial product of the reaction is the o-catechol, Me 3,4-dihydroxybenzoate. The ligand systems investigated include α,α’-bis{bis[2-(1-methyl-2-benzimidazolyl)ethyl]amino}-m-xylene (L-66) α,α’-bis{bis[2-(1-methyl-2-benzimidazolyl)methyl]amino}-m-xylene (L-55), α,α’-bis{[(1-methyl-2-benzimidazolyl)methyl][2-(1-methyl-2-benzimidazolyl)ethyl]amino}-m-xylene (L-56), and α,α’-bis{[(2-pyridyl)methyl][2-(1-methyl-2-benzimidazolyl)ethyl]amino}-m-xylene (L-5p6). The most effective among the dicopper(I) complexes is that derived from L-66, while its mononuclear Cu(I) analog, with the ligand N,N-bis[2-(1-methyl-2-benzimidazolyl)ethyl]amine is inactive in the monooxygenase reaction. The catechol, Me 3,4-dihydroxybenzoate is the only product of phenol hydroxylation when the reaction is carried out at low temperature (-40°). As the temperature is increased, Me 2-[4-(carbomethoxy)phenoxy]-3,4-dihydroxybenzoate, formally resulting from Michael addition of the starting phenol to 4-carbomethoxy-1,2-benzoquinone and probably resulting from the reaction between free phenolate and some intermediate copper-catecholate species, becomes a major product of the reaction. To gain insight into the mechanism of the reaction, the dicopper(I)-phenolate adducts and dicopper(II)-catecholate adducts of the L-66, L-55, and L-6 complexes have been studied. In a few cases the adducts containing catecholate monoanion or catecholate dianion have been isolated and spectrally characterized. It has been shown that the final product of the monooxygenase reaction corresponds to the dicopper(II)-catecholate dianion complex. A mechanism for the biomimetic phenol ortho-hydroxylation has been proposed and its possible relevance for tyrosinase discussed.

Inorganic Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Category: imidazoles-derivatives.

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