Month: April 2021

In an article, author is Oshimoto, Kohei, once mentioned the application of 108-32-7, Name is 4-Methyl-1,3-dioxolan-2-one, molecular formula is C4H6O3, molecular weight is 102.09, MDL number is MFCD00005385, category is benzoxazole. Now introduce a scientific discovery about this category, Product Details of 108-32-7.

Synthesis of benzoxazoles via the copper-catalyzed hydroamination of alkynones with 2-aminophenols

We describe herein the synthetic method to benzoxazole derivatives via the copper-catalyzed hydroamination of alkynones with 2-aminophenols. The method produced a wide variety of functionalized benzoxazole derivatives in good yields. Preliminary mechanistic experiments revealed that the reaction would proceed through the copper-catalyzed hydroamination of alkynones and the sequential intramolecular cyclization of beta-iminoketones/elimination of acetophenone promoted by the copper catalyst.

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

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, 136630-39-2, Name is 2,7-Dibromo-9H-carbazole, SMILES is BrC1=CC2=C(C=C1)C3=C(C=C(Br)C=C3)N2, belongs to benzoxazole compound. In a document, author is Malapati, Prasanthi, introduce the new discover, COA of Formula: C12H7Br2N.

Identification and development of benzoxazole derivatives as novel bacterial glutamate racemase inhibitors

In the present study, we attempted to develop novel class of Mycobacterium tuberculosis (Mtb) inhibitors by exploring the pharmaceutically underexploited enzyme targets which are majorly involved in cell wall biosynthesis of mycobacteria. For this purpose glutamate racemase was selected which racemizes D-glutamate from L-glutamate, a key step in peptidoglycan synthesis. Furthermore, enzyme is neither expressed nor its product, n-glutamate is produced in mammals, and hence inhibiting this enzyme will have no vulnerable effect in host organism. A library of our in-house compounds were screened against glutamate racemase using a biophysical technique; thermal shift assay and further by enzyme inhibition assay to identify Lead 1 molecule. Lead 1 optimization and expansion resulted in twenty four compounds. Among the synthesized compounds twelve compounds shown good enzyme inhibition than Lead 1 (IC50 20.07 +/- 0.29 mu M). Among all the compounds; compound 22 (IC50 1.1 +/- 0.52 mu M) showed potent non-competitive mode of inhibition in enzyme assay. Further showed good susceptibility (in replicating bacteria) of MIC 8.72 mu M and bactericidal time dependant kill on dormant culture. It also exhibited significant activity in Mtb nutrient starvation model (2.5) and Mtb biofilm model (2.4) and in vivo M. marinum infected Zebra fish model studies (3.6) reduction at logarithmic scale. (C) 2018 Elsevier Masson SAS. All rights reserved.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 136630-39-2 is helpful to your research. COA of Formula: C12H7Br2N.

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

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 5535-48-8, Name is (Vinylsulfonyl)benzene, molecular formula is C8H8O2S. In an article, author is Amin, Sk. Abdul,once mentioned of 5535-48-8, COA of Formula: C8H8O2S.

Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques

The drug design and discovery of lipid modulators is very demanding as no new molecule has entered into the market in the last 35 years. Cholesteryl ester transfer protein (CETP) is a promising target as lipid modulators. Inhibition of the CETP enzyme reduces the risk of cardiovascular events. The first CETP inhibitor torcetrapib and related drug candidates failed in the clinical trial due to the off-target effects leading to high toxicity. Thus, newer CETP inhibitors have now paramount importance to accelerate the drug discovery efforts in the field of cardiovascular disease (CVD). In the present study, 140 benzoxazole compounds were studied by using different chemometric techniques, for example, pharmacophore mapping, molecular docking, three-dimensional quantitative structure-activity relationship comparative molecular field analysis (3D-QSAR CoMFA), topomer CoMFA and Bayesian classification, in order to generate complete and reliable information regarding the structural requirements for the CETP inhibition. The best pharmacophore hypothesis was statistically significant (regression coefficient of 0.957 and a lower root mean square of 0.890). Molecular docking study revealed that cyano-substituted compounds form hydrogen bond with targeted macromolecule. The 3D-QSAR CoMFA model also produced a leave-one-out (LOO) cross-validated Q2 of 0.527, an R2 of 0.853 and an R2 Pred of 0.603. Similarly, two topomer CoMFA models were also statistically significant and reliable in terms of their Q2, R2 and R2 Pred values. The Bayesian classification study also provided the excellent ROC values of 0.919 and 0.939 for training and test sets, respectively. Overall, this study may help in the rational design of newer benzoxazole type compounds with higher CETP inhibition.

Interested yet? Keep reading other articles of 5535-48-8, you can contact me at any time and look forward to more communication. COA of Formula: C8H8O2S.

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

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Chernyshov, Vladimir V., once mentioned the application of 6674-22-2, Name is 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine, molecular formula is C9H16N2, molecular weight is 152.2367, MDL number is MFCD00006930, category is benzoxazole. Now introduce a scientific discovery about this category, SDS of cas: 6674-22-2.

Unexpected Ring Opening During the Imination of Camphor-Type Bicyclic Ketones

A new ring opening reaction was found while attempting to isolate the imines from ortho-heteroatom substituted anilines and camphor-like bicyclic ketones. The benzoazoles containing a cyclopentanemethyl group at position 2 of the heterocycle were isolated instead of the expected imines. The detailed study of the transformation, including EPR experiments, revealed the most probable radical mechanism. The proposed reaction pathways were confirmed by quantum chemical calculations. The dichotomy of 1-2 and 2-3 bonds cleavage is discussed together with the evaluation of the stereochemical outcome of the reactions. The benzoazoles obtained via the new reaction are of particular interest for the medicinal chemistry.

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

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Computed Properties of C22H19Br2FN2O, 1235481-90-9, Name is P7C3-A20, SMILES is COC1=CC(NCC(F)CN2C3=C(C4=C2C=CC(Br)=C4)C=C(Br)C=C3)=CC=C1, belongs to benzoxazole compound. In a document, author is Tutone, Marco, introduce the new discover.

Pharmacophore-Based Design of New Chemical Scaffolds as Translational Readthrough-Inducing Drugs (TRIDs)

Translational readthrough-inducing drugs (TRIDs ) rescue the functional full-length protein expression in genetic diseases, such as cystic fibrosis, caused by premature termination codons (PTCs). Small molecules have been developed as TRIDs to trick the ribosomal machinery during recognition of the PTC. Herein we report a computational study to identify new TRID scaffolds. A pharmacophore approach was carried out on compounds that showed readthrough activity. The pharmacophore model applied to screen different libraries containing more than 87000 compounds identified four hit-compounds presenting scaffolds with diversity from the oxadiazole lead. These compounds have been synthesized and tested using the Fluc reporter harboring the UGA PTC. Moreover, the cytotoxic effect and the expression of the CFTR protein were evaluated. These compounds, a benzimidazole derivative (NV2899), a benzoxazole derivative (NV2913), a thiazole derivative (NV2909), and a benzene-1,3-disulfonate derivative (NV2907), were shown to be potential new lead compounds as TRIDs, boosting further efforts to address the optimization of the chemical scaffolds.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 1235481-90-9. Computed Properties of C22H19Br2FN2O.

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

345-92-6, Name is Bis(4-Fluorophenyl)methanone, molecular formula is C13H8F2O, belongs to benzoxazole compound, is a common compound. In a patnet, author is Nocon-Szmajda, Klaudia, once mentioned the new application about 345-92-6, Recommanded Product: 345-92-6.

Effects of ionic liquid doping on gas transport properties of thermally rearranged poly(hydroxyimide)s

In this study we present a novel and simple approach to improve the gas separation performance of the thermally rearranged membranes, which involves doping the polyimide precursors (HPI) with ionic liquid (IL), and carrying out its degradation along with the conversion process to polybenzoxazole (PBO) in order to facilitate the formation of larger and /or more numerous free volumes. A series of aromatic (co)poly(hydroxyimide)s based on 6FDA and HAB/4MPD diamines in different molar ratios, as well as BPADA-HAB poly(hydroxyimide) were synthesized as the precursors to be doped with IL and thermally rearranged to PBO. The structural modifications of the precursor backbone were applied to study the impact of IL on the physical properties, thermal conversion process, as well as gas transport properties of the doped polymers with different chain rigidities. The pure and IL doped (co)polyimides and their thermally rearranged counterparts were characterized by WAXD, DSC, TGA, tensile tests, and PALS, and examined in pure gas permeation experiments. TR conversion temperature was considerably reduced by IL doping (e.g. by 126 degrees C). This effect depended on the precursor chemical structure and the IL content. After thermal rearrangement of the IL doped HPIs, the membrane permeability to gases increased significantly compared to the un-doped analogues (e.g. 2 fold increase for O-2 permeability). The permeability increase was larger for the higher IL content and the precursor chain rigidity. This was accompanied by a relatively small loss in selectivity leading to the performance shift towards the 2008 upper bound. The differences in permeability among the samples correlated with the free volume size from PALS. In particular, a very good correlation was obtained (r(2) = 0.958), when the data fitted to the Cohen-Turnbull model concerned only PBO samples with low cohesive energy density. Further studies on HPIs doped with IL with lower degradation temperatures are suggested to mitigate polymer degradation and explore this new method for the design of improved gas separation membrane materials.

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

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 2892-51-5, Name is 3,4-Dihydroxy-3-cyclobutene-1,2-dione, molecular formula is C4H2O4. In an article, author is Luo, Shuangjiang,once mentioned of 2892-51-5, Name: 3,4-Dihydroxy-3-cyclobutene-1,2-dione.

Triptycene-containing poly(benzoxazole-co-imide) membranes with enhanced mechanical strength for high-performance gas separation

Herein, a series of novel triptycene-containing thermally rearranged poly(benzoxazole-co-imide) membranes (TPI-PBOs) with enhanced mechanical properties and gas separation performance are reported. The effects of chemical structures and poly(benzoxazole-co-imide) composition on the fractional free volume, polymer chain packing, microcavity size and size distribution, mechanical properties, and gas transport properties have been comprehensively investigated. Due to the incorporation of triptycene-containing non-TR-able polyimide segments, the resulting poly(benzoxazole-co-imide) films exhibited good mechanical properties even after being treated at 450 degrees C. The incorporation of bulky and rigid triptycene units led to significantly improved fractional free volume and gas transport properties compared to previously reported poly(benzoxazole-co-imide)s. Several triptycene-containing poly(benzoxazole-co-imide) films displayed excellent gas separation performance for H-2/CH4, H-2/N-2, and CO2/CH4 gas pairs that exceeded the 2008 upper bounds.

If you¡¯re interested in learning more about 2892-51-5. The above is the message from the blog manager. Name: 3,4-Dihydroxy-3-cyclobutene-1,2-dione.

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

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Recommanded Product: 352-34-1352-34-1, Name is 1-Fluoro-4-iodobenzene, SMILES is FC1=CC=C(I)C=C1, belongs to benzoxazole compound. In a article, author is Thiriveedhi, Arunkumar, introduce new discover of the category.

Novel Pyrazolyl Benzoxazole Conjugates: Design, Synthesis, Molecular Docking Studies and in vitro Anticancer Activities

Nowadays, hybrid drugs have gained a significant role in the treatment of different health problems. Most of the hybrid molecules with different heterocyclic moieties were proved to be potent anti-tumor agents in cancer chemotherapy. Hence, the present study is aimed at the evaluation of in vitro anticancer activity of novel hybrid molecules (pyrazolyl benzoxazole conjugates) and to investigate their anticancer activity by molecular docking studies. Designed, synthesized and characterized the novel pyrazolyl benzoxazole conjugates. Anticancer activity of these compounds was determined by SRB assay. Then molecular docking studies were carried out against proto-oncogene tyrosine-protein kinase (ATP-Src, PDB: 2BDF), a putative target for cancer. All the synthesized compound derivatives were evaluated against MCF-7, KB, Hop62 and A549 cancer cell lines. Compounds 9b and 9c exhibited excellent anticancer activities with GI(50) values of <0.1 mu M against MCF-7 and A549 cell lines. Compound 9e exhibited good antitumor activity on MCF-7 and A-549 with GI(50) values of 0.12 mu M and 0.19 mu M respectively. Compound 9g showed better anticancer activity on A-549 cancer cell line with GI(50) of 0.34 mu M. The two-hybrid molecules 9b and 9c are found to be comparably potent with the standard drug doxorubicin and may act as drug lead compounds in medicinal chemistry aspect. The present docking investigation proved that having benzoxazole of compound 9c at the position of benzofuran of reference compound (N-acetyl pyrazoline derivative) might be valid for contributing to anti-cancer activity. Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 352-34-1. Recommanded Product: 352-34-1.

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

2343-89-7, Name is Methyl 2-fluoroacrylate, molecular formula is C4H5FO2, Recommanded Product: 2343-89-7, belongs to benzoxazole compound, is a common compound. In a patnet, author is Peng, Jiang, once mentioned the new application about 2343-89-7.

Light-Induced Bending of Needle-Like Crystals of Naphthylvinylbenzoxazole Triggered by trans-cis Isomerization

New diarylethene derivatives containing benzoxazole (NBO) and benzothiazole (NBT) have been synthesized. Light-induced trans-cis isomerization of NBO and NBT took place in crystals, and only induced the needle-like crystals of NBO to bend backwards away from the UV light source. The movement of the atoms was deemed to take place during the isomerization of NBO; hence, strain would be produced and accumulated rapidly in the surface of crystals exposed to UV light. The uniform release of strain led to the bending of needle-like crystals. The light-induced trans-cis isomerization efficiency of NBT was too low to drive the motion of crystals, which might have originated from the large repulsion between naphthyl and benzothiazole. These results provide a new platform for the transformation of light energy into mechanical energy in molecular crystals through the unimolecular photochemical reaction of diarylethene derivatives.

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

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Name: 4-Fluoro-2-methoxy-5-nitroaniline, 1075705-01-9, Name is 4-Fluoro-2-methoxy-5-nitroaniline, SMILES is NC1=CC([N+]([O-])=O)=C(F)C=C1OC, belongs to benzoxazole compound. In a document, author is Sadaf, Haseeba, introduce the new discover.

Synthesis, crystal structures and biological activities of palladium(II) complexes of benzimidazole and 2-methylbenzimidazole

Five palladium(II) complexes (1-5) with benzimidazole and 2-methylbenzimidazole were prepared and characterized by thermal analysis and, IR and NMR spectroscopy. The crystal structures of two of them, trans-IPd(benzimidazole)(2)Br-2]center dot 2DMSO (1) and trans-[Pd(2-methylbenzimidazole)(2)I-2] (5) were determined by X-ray crystallography, which describe a square planar coordination environment around the Pd(II) ions. Compound 1 crystallizes as a DMSO solvate. The solid state structures of both complexes are stabilized by hydrogen bonding interactions. The biological evaluation of the complexes showed that they exhibited moderate antimicrobial activities but their antidiabetic properties were momentous with respect to the standard drug. (C) 2019 Elsevier Ltd. All rights reserved.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 1075705-01-9. Name: 4-Fluoro-2-methoxy-5-nitroaniline.

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