Tag: M.W:200-300

Research speed reading in 2021. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction by binding to a specific portion of an enzyme and thus slowing or preventing a reaction from occurring. 112704-79-7, Name is 4-Bromo-2-fluorobenzoic acid, molecular formula is , belongs to benzoxazole compound. In a document, author is Tariq, Sana, Electric Literature of 112704-79-7.

Recent studies have demonstrated that inhibition of p38 MAP kinase could effectively inhibit pro-inflammatory cytokines including TNF- and interleukins. Thus, inhibition of this enzyme can prove greatly beneficial in the therapy of chronic inflammatory diseases. A new series of N-[3-(substituted-4H-1,2,4-triazol-4-yl)]-benzo[d]thiazol-2-amines (4a-n) were synthesized and subjected to in vitro evaluation for anti-inflammatory activity (BSA anti-denaturation assay) and p38 MAPK inhibition. Among the compounds selected for in vivo screening of anti-inflammatory activity (4b, 4c, 4f, 4g, 4j, 4m, and 4n), compound 4f was found to be the most active with an in vivo anti-inflammatory efficacy of 85.31% when compared to diclofenac sodium (83.68%). It was also found to have a low ulcerogenic risk and a protective effect on lipid peroxidation. The p38 MAP kinase inhibition of this compound (IC50=0.036 +/- 0.12M) was also found to be superior to the standard SB203580 (IC50=0.043 +/- 0.27M). Furthermore, the in silico binding mode of the compound on docking against p38 MAP kinase exemplified stronger interactions than those of SB203580.

Electric Literature of 112704-79-7, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 112704-79-7.

Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Catalysts allow a reaction to proceed that has a lower activation energy than the uncatalyzed reaction. In heterogeneous catalysis, catalysts provide a surface to which reactants bind in a process of adsorption. 94790-35-9, Name is N-(Chloro(dimethylamino)methylene)-N-methylmethanaminium hexafluorophosphate(V), molecular formula is , belongs to benzoxazole compound. In a document, author is Safaei, Elham, HPLC of Formula: https://www.ambeed.com/products/94790-35-9.html.

A tridentate benzoxazole-containing aminophenol ligand NNOH2 was coordinated to Co and V metal centers and the electronic structure of the resultant complexes characterized by both experimental and theoretical methods. The solid state structure of the Co complex exhibits a distorted octahedral geometry with two tridentate ligands bound in meridional fashion, and coordination-sphere bond lengths consistent with a Co(iii) oxidation state. EPR and magnetic data support a S = 1/2 ground state, and a formal electronic description of Co(iii)(NNOAP)(NNOISQ) where NNOAP corresponds to an amidophenoxide and NNOISQ to the iminosemiquinone redox level. However, the metrical parameters are similar for both ligands in the solid state, and DFT calculations support delocalization of the ligand radical over both ligands, affording an intermediate ligand redox level Co(iii)(NNO1.5-)(NNO1.5-). The vanadyl complex exhibits a distorted octahedral geometry in the solid state consistent with a V(v) metal center and amidophenoxide (NNOAP), acetylacetonate and oxo ligands. The ligand metrical parameters are consistent with significant amidophenoxide to V(v) pi donation. Overall, our results highlight the roles of electron transfer, delocalization, and pi bonding in the metal complexes under study, and thus the complexity in assignment of the electronic structure in these systems.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. Catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 2377-81-3, Name is Tetrafluoroisophthalonitrile, molecular formula is , belongs to benzoxazole compound. In a document, author is Chong, MuiPhin, Quality Control of Tetrafluoroisophthalonitrile.

There is current interest in developing human hypoxia-inducible factor (HIF) prolyl hydroxylase domain (PHD) inhibitors for the treatment of anemia and other hypoxia-related diseases. We describe the synthesis of 3-carbamoylpropanoic acid derivatives and their evaluation as human PHD-2 inhibitors. MS assays indicated that derivatives with a 3-carbamoylpropanoic acids-containing benzoxazole moiety are inhibitors of PHD-2 with IC50 values of 2.24 mu M and 1.32 mu M, respectively. However, neither the acids nor their respective ethyl esters were observed to upregulate HIF-1 alpha levels in cells.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals. In an article, author is Erol, Meryem, once mentioned the application of 22439-61-8, Computed Properties of https://www.ambeed.com/products/22439-61-8.html, Name is 2-Bromodibenzo[b,d]thiophene, molecular formula is C12H7BrS, molecular weight is 263.15, MDL number is MFCD00089285, category is benzoxazole. Now introduce a scientific discovery about this category.

A series of some novel 2-(p-tert-butylphenyl)-5-(3-substituted-propionamido)benzoxazole derivatives have been designed, synthesized, evaluated for antimicrobial activity and have performed molecular docking studies against penicillin-binding protein 4 (PBP4) and active and allosteric site of PBP2a; were calculated some theoretical quantum parameters and absorption, distribution, metabolism and excretion (ADME) descriptors. B9 acted at minimum inhibitory concentration (MIC) = 8 mu g/mL against S. aureus, E. faecalis and their drug-resistant isolates and also formed with GLU145 (1.74 angstrom) and ILE144 (1.89 angstrom) two hydrogen bonds at allosteric site of PBP2a with Glide emodel score: -42.168. Delta E of compound B9 had moderate value of all compounds with 0.14742. Communicated by Ramaswamy H. Sarma

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 540-37-4, Name is 4-Iodoaniline, molecular formula is C6H6IN. In an article, author is Felouat, Abdellah,once mentioned of 540-37-4, Quality Control of 4-Iodoaniline.

This article describes the multi-step synthesis of 2-(2-hydroxybenzofuran)benzoxazole (HBBO) derivatives functionalised with one to three oligo(ethylene glycol) (OEG) chains with the goal to allow a good vectorization in aqueous media. Benzoxazole dyes are well-known organic fluorophores exhibiting excited-state intramolecular proton transfer (ESIPT) emission. The insertion of these highly hydrophilic OEG chains allows a good solubilization of these dyes in a wide range of solvents of different polarity including PBS buffer/DMSO (95/5) and water, for one of them. The photophysical properties of these ESIPT emitters in solution, and also in the solid-state, as doped as 1 wt% in poly(methylmethacrylate) (PMMA) or polystyrene (PS) films, are discussed. Specifically, the presence of an OEG chain at the 3-position of the benzofuran ring was found to sizeably enhance the fluorescence intensity of the ESIPT emission in the solution state.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New research progress on 112704-79-7 in 2021.Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 112704-79-7, Name is 4-Bromo-2-fluorobenzoic acid, molecular formula is , belongs to benzoxazole compound. In a document, author is Marszalek, Ilona, Name: 4-Bromo-2-fluorobenzoic acid.

The intracellular exchangeable Zn(II) is usually measured with synthetic fluorescent zinc sensors. 4′,5′-Bis[bis-(2-pyridylmethyeaminomethy1]-2′,7′-dichlorofluorescein (Zin-pyr-1) is a sensor containing the fluorescein platform and a duplicated chelating unit. Its advantages include brightness and a relatively high affinity for Zn(II), K-d = 0.7 nM. 2-(4, 5- Dimethoxy-2-hydroxypheny1)-4-(2-pyridylmethypaminomethyl- benzoxazole (Zinbo-5) is a member of a growing family of ratiometric synthetic Zn(II) probes, offering a possibility to determine Zn(II) concentration independently of the sensor concentration. Cells, however, contain high, millimolar or nearly millimolar concentrations of low molecular weight ligands (LMWLs) capable of binding Zn(II) ions. Previously, we demonstrated that such LMWLs can perturb the performance of some fluorescent zinc sensors by competition and formation of ternary Zn(sensor) (LMWL) complexes. Here we tested Zinpyr1 and Zinbo-5 in this respect. Despite structural differences, both sensors formed such ternary complexes. We determined their stability constants K-c(tern) and performed numerical simulations of Zn(II) distributions at physiological concentrations of selected LMWLs. Glutamic acid was found to provide the strongest ternary complexes with either of the studied sensors. Zn(Zinpyr1)(Glu) was an absolutely dominant Zn(II)/Zinpyr-1 species (more than 96% of the exchangeable Zn(II)), and Zn(Zinbo5)(Glu) was the most abundant one (more than 40%) in these simulations. Our results indicate that under cellular conditions these sensors are able to report Zn(II) complexed to LMWLs rather than free Zn2+ ions. On the other hand, the specific affinity of Zn(Zinpyr-1) and Zn(Zinbo-5) for Glu creates interesting opportunities for determining glutamic acid in biological samples.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis.1714-29-0, Name is 1-Bromopyrene, molecular formula is C16H9Br. In an article, author is Du, Can,once mentioned of 1714-29-0, Category: benzoxazole.

The excited-state intramolecular proton transfer (ESIPT) process of 6-amino-2-(2 ‘-hydroxyphenyl) benzoxazole (6A-HBO) was investigated using density functional theory and time-dependent density functional theory methods with B3LYP and TZVP basis sets. n-Heptane, dichloromethane, methanol, and acetonitrile were chosen as a series of polar solvents in calculations using the IEFPCM model. To obtain a more comprehensive ESIPT mechanism, we constructed the S-0 and S-1 states’ potential energy surfaces (PESs) by incrementally twisting the OH bond and increasing the distance of O-H bond. Based on the analysis of the bond lengths, the IR vibrational spectra, and the frontier molecular orbits (MOs), the intramolecular hydrogen bonding (OH…N) is clearly strengthened, and the charge is redistributed in the S-1 state. The results of calculated absorption spectrum are in accord with the experimental data. The fluorescence spectrum of 6A-HBO-enol showed a normal red shift, but the red shift of the 6A-HBO-keto is larger and increases with the solvent polarity, indicating a charge transfer. Analysis of the PESs indicates a lower potential energy barrier in S-1 state for the proton transfer from the O atom to the N atom, with the excited state potential barrier slightly decreasing with the increase of the solvent polarity.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. The transformation of simple hydrocarbons into more complex and valuable products has revolutionised modern synthetic chemistry. In an article, author is Bhat, Rahul, once mentioned the application of 14814-09-6, Computed Properties of https://www.ambeed.com/products/14814-09-6.html, Name is 3-Mercaptopropyltriethoxysilane, molecular formula is C9H22O3SSi, molecular weight is 238.4197, category is benzoxazole. Now introduce a scientific discovery about this category.

The expeditious synthesis of 2-aryl-benzothia/(oxa) zoles was carried out by the condensation of 2-aminothiophenol/2-aminophenol and diverse aryl aldehydes in presence of Acacia concinna as a biocatalyst under microwave irradiation. The catalytic process is associated with excellent yields, greener reaction conditions and the environmentally friendly microwave technique which are the striking features of the present protocol.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. Catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 22439-61-8, Name is 2-Bromodibenzo[b,d]thiophene, molecular formula is , belongs to benzoxazole compound. In a document, author is Meenakshi, Application of 22439-61-8.

Reaction of Al(OPri)(3) with 2-(o-hydroxy phenyl)-benzimidazole (pbmzH) and 2-(o-hydroxy phenyl)-benzothiazole (pbtzH) in different molar ratio in benzene solution afforded complex of the types [(mu-OPri)Al-2(pbmz)(2)(OPri)(2)] 1, [Al(OPri)(pbmz)(2)] 2, [Al(pbmz)(3)] 3, [(mu-OPri)Al-2(pbtz)(2)(OPri)(2)] 4, [Al(OPri)(pbtz)(2)] 5 and [Al(pbtz)(3)] 6. All these white to creamy white solid complexes are soluble in common organic solvents (such as C6H6, CCl4, n-hexane, DMSO, DMF etc.) and were characterized by elemental (C, H, N and AI) analysis as well as spectral [IR (H-1, C-13 and Al-27) NMR] and mass studies. On the basis of these spectroscopic data a plausible structure tentatively has been proposed for these complexes.

Application of 22439-61-8, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 22439-61-8.

Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 165534-43-0, Name is Diethyl (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl) phosphate, molecular formula is , belongs to benzoxazole compound. In a document, author is Song, Ming-Xia, Electric Literature of 165534-43-0.

A novel series of benzoxazole derivatives containing 1,2,4-triazolone (5a-m) was designed. These compounds were synthesized in order to screen their anticonvulsant activities by the maximal electroshock seizure (MES) model and the subcutaneous pentylenetetrazole (sc-PTZ) seizure model in mice. The rotarod test was used to evaluate their neurotoxicities. Most of the compounds showed anti-MES activities at 100 and 300 mg/kg. Compound 5f, which showed potential anticonvulsant activity in the MES model with ED50 values of 22.0 mg/kg, was considered as the most promising one in this study. It exhibited greater safety than that of carbamazepine and valproate regarding neurotoxicity. The efficacy of compound 5f in inhibiting the tonic seizures and death induced by the convulsants 3-mercaptopropionic acid and BIC was also verified. In an enzyme-linked immunosorbent assay, compound 5f and the positive drug phenytoin significantly increased the gamma-aminobutyric acid (GABA) level in the mouse brain. Further, pretreatment with an inhibitor of the GABA synthesizing enzyme dramatically raised the ED50 value of 5f in the MES model. These results confirmed that the compound 5f plays its anticonvulsive action via regulating the GABA function in the brain. Also, a docking study of the compound 5f in the benzodiazepine (BZD) binding site of the GABA(A) receptor confirmed possible binding of the compound 5f with BZD receptors.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem