Tag: M.W:100-200

Welcome to the Chemical Union of benzoxazole, to introduce a new compound: 273-53-0, Name is Benzoxazole, molecular formula is C7H5NO, belongs to benzoxazole compound. In a document, author is Zilifdar, Fatma, Recommanded Product: 273-53-0.

A series of benzoxazole derivatives and some possible primary metabolites were evaluated as anticancer agents. In vitro anti-proliferative activities of the compounds were tested using the SRB assay on cancerous (HeLa) and non-cancerous (L929) cell lines. It was found that 17 of 21 tested compounds had cytotoxic activity on HeLa cells and the cytotoxic activities of the compounds were 15-700 times higher than on L929 cells. We generated two distinct pharmacophore models for the cytotoxic activities of the compounds on HeLa and L929 cells. While active compounds such as camptothecin and X8 fitted the two models generated for both cell lines, selective cytotoxic compounds such as XT3B fitted only the model generated for HeLa cells. Evaluation of the genotoxic activities of the cytotoxic compounds with the alkaline comet assay revealed that compounds X17 and XT3 showed strong genotoxic effects against HeLa cells at low concentrations whereas they had no genotoxic effect on L929 cells. Due to the selective ability for inducing DNA strand breaks only on cancerous cells, the compounds were identified as effective derivatives for anticancer candidates.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

The flat faces of aromatic rings also have partial negative charges due to the π-electrons. Similar to other non-covalent interactions –including hydrogen bonds, electrostatic interactions and Van der Waals interactions, Name: 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine.

Patients suffering from dementia experience cognitive deficits and 90% of them show non-cognitive behavioral and psychological symptoms of dementia (BPSD). The spectrum of BPSD includes agitation, depression, anxiety and psychosis. Antipsychotics, e.g. quetiapine, have been commonly used off-label to control the burdensome symptoms, though they cause serious side effects and further cognitive impairment. Therefore, the development of targeted therapy for BPSD, suitable for elderly patients, remains relevant. A multitarget-directed ligand, acting on serotonin 5-HT2A and dopamine D-2 receptors (R) and thus exerting anti-aggressive and antipsychotic activity, as well as on 5-HT(6)Rs and 5-HT(7)Rs ( potential procognitive, antidepressant and anxiolytic activity), poses a promising strategy for the treatment of BPSD. Antitargeting muscarinic M3R and hERG channel is expected to reduce the risk of side effects. We obtained a series of stereoisomeric compounds by combining 6-fluoro-1,2-benzoxazole moiety and arylsulfonamide fragment through pyrrolidin-1-yl-propyl linker. N-[(3R)-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide showed a substantial affinity for the targets of interest (pK(i) = 8.32-9.35) and no significant interaction with the antitargets. Functional studies revealed its antagonist efficacy (pK(B) = 7.41-9.03). The lead compound showed a promising profile of antipsychotic-like activity in amphetamine- and MK-801-induced hyperlocomotion (MED = 2.5 mg/kg), antidepressant-like, as well as anxiolytic-like activity in mice (MED = 0.312 and 1.25 mg/kg in the forced swim and four-plate tests, respectively). Notably, the novel compound didn’t affect spontaneous locomotor activity, nor induced catalepsy or memory deficits (step-through passive avoidance test) in therapeutically relevant doses, which proved its benign safety profile. The overall pharmacological characteristics of the lead compound outperformed the reference drug quetiapine, making it a promising option for evaluation in the treatment of BPSD. (c) 2020 The Authors. Published by Elsevier Masson SAS. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

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

In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. In this document, Organophosphine-free copper-catalyzed isothiocyanation of amines with sodium bromodifluoroacetate and sulfur. Formula: https://www.ambeed.com/products/504-02-9.html.

A Pd-catalyzed aerobic approach to access C4-aryl benzoxazoles by tandem C-H ortho-arylation and acid-mediated annulation of 2-amidophenol has been presented. The directing potential of the -NHCOR group over the -OH group was exploited for selective arylation adjacent to the amide group. Deuterium labeling experiments suggest that palladation predominantly occurs adjacent to the -NHCOR group and is the key step during benzoxazole formation. One-pot hydrolysis of the resulting C4-arylated benzoxazole was also accomplished to access structurally challenging 3-aryl aminophenols for further applications.

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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. 6674-22-2, Name is 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine, molecular formula is C9H16N2, belongs to benzoxazole compound. In a document, author is Hasegawa, Masatoshi, Recommanded Product: 6674-22-2.

A series of methacrylamides containing benzoxazole (BO) mesogenic side groups and different lengths of alkyl units was synthesized in this study. A methacrylamide containing the n-dodecyl group was selected as a suitable monomer to obtain beneficial thermally conductive polymeric materials because of its sufficient solubility in toluene in the subsequent radical polymerization and because of its liquid crystallinity. This methacrylamide led to a highly soluble polymer with film-forming ability. The BO-containing polymethacrylamide also exhibited liquid-crystalline (LC) behavior during the heating and cooling processes. The cast film was kept at a slightly lower temperature than the clearing temperature and quenched to room temperature. This procedure afforded a film maintaining optical anisotropy at room temperature, implying that a frozen LC structure is maintained at room temperature. The quenched film also resulted in a significantly enhanced thermal conductivity (lambda = 0.60 W m(-1) K-1) without the aid of fillers and external fields, unlike the as-cast counterpart without optical anisotropy. A polyacrylate containing a flexible long alkylene (C-6) spacer between the main chains and a BO-containing mesogenic side group was also investigated. The polyacrylate exhibited LC behavior during the heating and cooling processes over wide ranges. The polyacrylate film quenched from an established temperature, which contains a frozen LC structure, also exhibited a significantly enhanced lambda value (0.63 W m(-1) K-1) without fillers and external fields. Thus, the BO-containing vinyl polymers studied in this work are promising candidates for novel heat-releasing materials. (c) 2020 Society of Chemical Industry

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

Healthcare careers for chemists are once again largely based in laboratories, although increasingly there is opportunity to work at the point of care, helping with patient investigation, Related Products of 108-32-7, 108-32-7, molecular formula is C4H6O3, molweight is 102.09(g/mol), smiles is O=C1OCC(C)O1.

Herein, we synthesized a series of twelve benzoxazole and benzothiazole derivatives incorporated with phthalimide core as anticancer agents. The most active compounds were 5a and 5g against HepG2 and MCF7 cell lines with IC50 = 0.011 and 0.006 mu M, respectively. They evaluated against EGFR and HER2 enzymes. From cell cycle analysis, it was observed that test compounds exerted pre G1 apoptosis and cell cycle arrest at G2/M phase. The achieved results suggested that apoptosis was due to activation of caspase-7 and caspase-9. EGFR was chosen as a biological target for carrying molecular modeling study for the newly synthesized compounds.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. Formula: https://www.ambeed.com/products/5535-48-8.html, Name is (Vinylsulfonyl)benzene, molecular formula is C8H8O2S, molecular weight is 168.2129, category is benzoxazole. Now introduce a scientific discovery about this category.

Prion diseases are a group of neurodegenerative and fatal central nervous system disorders. The pathogenic mechanism involves the conversion of cellular priori protein (PrPC) to an altered scrapie isoform (PrPSc), which accumulates in amyloid deposits in the brain. However, no therapeutic drugs have demonstrated efficacy in clinical trials. We previously reported that BMD42-29, a synthetic compound discovered in silico, is a novel anti-prion compound that inhibits the conversion of PrPC to protease K (PK)-resistant PrPSc fragments (PrPres). In the present study. 14 derivatives of BMD42-29 were obtained from BMD42-29 by modifying in the side chain by in silico feedback, with the aim to determine whether they improve anti-priori activity. These derivatives were assessed in a PrPSc-infected cell model and some derivatives were further tested using real time-quaking induced conversion (RT-QuIC). Among them, BMD42-2910 showed high anti-prion activity at low concentrations in vitro and also no toxic effects in a mouse model. Interestingly; abundant PrPres was reduced in brains of mice infected with prion strain when treated with BMD42-2910, and the mice survived longer than control mice and even that treated with BMD42-29. Finally, high binding affinity was predicted in the virtual binding sites (Asn159, Gln 160, Lys194, and Glu196) when PIPC was combined with BMD-42-2910. Our findings showed that BMD42-2910 sufficiently reduces PrPres generation in vitro and in vivo and may be a promising novel anti-prion compound.

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

The flat faces of aromatic rings also have partial negative charges due to the π-electrons. Similar to other non-covalent interactions –including hydrogen bonds, electrostatic interactions and Van der Waals interactions, Related Products of 2892-51-5.

Given the paramount importance of excited-state relaxation in the photochemical process, excited-state hydrogen bonding interactions and excited-state intramolecular proton transfer (ESIPT) are always hot topics. In this work, we theoretically explore the excited-state dynamical behaviors for a novel 2-(3,5-dichloro-2,6-dihydroxy-phenyl)-benzoxazole-6-carboxylicacid (DDPBC) system. As two intramolecular hydrogen bonds (O1-H2MIDLINE HORIZONTAL ELLIPSISN3 and O4-H5MIDLINE HORIZONTAL ELLIPSISO6) exist in the DDPBC structure, we first check if the double proton transfer form cannot be formed in the S1 state. Then, we explore the changes of geometrical parameters involved in hydrogen bonds, based on which we confirm that the dual intramolecular hydrogen bonds are strengthened on photo-excitation. The O1-H2MIDLINE HORIZONTAL ELLIPSISN3 hydrogen bond particularly plays a more important role in excited state. When it comes to the photo-induced excitation, we find charge transfer and electronic density redistribution around O1-H2 and N3 atom moieties. We verify the ESIPT tendency arising from the O1-H2MIDLINE HORIZONTAL ELLIPSISN3 hydrogen bond. In the analysis of the potential energy curves, along with O1-H2MIDLINE HORIZONTAL ELLIPSISN3 and O4-H5MIDLINE HORIZONTAL ELLIPSISO6, we demonstrate that the ESIPT reaction should occur along with O1-H2MIDLINE HORIZONTAL ELLIPSISN3 rather than O4-H5MIDLINE HORIZONTAL ELLIPSISO6. This work not only clarifies the specific ESIPT mechanism for DDPBC system but also paves the way for further novel applications based on DDPBC structure in the future.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Chemical engineers work across a number of sectors, processes differ within each of these areas, but chemistry and chemical engineering roles are found throughout, and are directly involved in the manufacturing process of chemical products and materials. Electric Literature of 363-72-4

The present report is based on straightforward synthesis of molecular palladium complexes of benzothiazole based bulky ligands. Catalytic potential of 1 [Pd(L1)(2)Cl-2] and 2 [Pd(L2)(2)Cl-2] has been screened for Suzuki coupling. Due to structural difference between 1 and 2 (anthracen-9-yl in 1, and pyren-1-yl in 2), they behave as designers pre-catalysts and show different catalytic behaviour and nature by dispensing the nanoparticles of different materials (PdS by 1 and Pd16S7 by 2). This is an unprecedented observation as the size of the aryl substituent controls the efficiency (efficiency: 1 > 2) through determining the composition and nature of insitu generated nanoparticles.

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

The flat faces of aromatic rings also have partial negative charges due to the π-electrons. Similar to other non-covalent interactions –including hydrogen bonds, electrostatic interactions and Van der Waals interactions, Related Products of 1075705-01-9.

New kinds of heterocyclic mesogenic compounds containing benzoxazole, ethynyl, and laterally fluorinated phenyl groups, namely 2-[4-[2-[4-alkoxyphenyl]ethynyl]-2,3-difluorophenyl]benzoxazole derivatives (nPEDFPBx), are synthesized and evaluated. The compounds nPEDFPBx except nitro-substituted ones have enantiotropic nematic mesophases with mesophase ranges of 16-86 degrees C and 29-108 degrees C on heating and cooling, respectively. The results show that introduction of two lateral fluorine atoms into molecule results in enhanced nematic mesophase stability. Meanwhile, nPEDFPBx displays much higher birefringence (0.507-0.624) than common tolanebased liquid crystals, which is ascribed to its large pi-conjugated molecule composed of benzene, ethynyl, and benzoxazole mesogenic unit. The nPEDFPBx has a high potential to serve as a dopant for liquid crystal mixture. [GRAPHICS] .

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. 540-36-3, Name is 1,4-Difluorobenzene, molecular formula is C6H4F2, belongs to benzoxazole compound. In a document, author is Nocon-Szmajda, Klaudia, Recommanded Product: 1,4-Difluorobenzene

In this study, we explore the use of two kinds of inorganic sieves, microporous MFI zeolite and mesoporous MCM-41 silica, as fillers to enhance the gas transport characteristics of thermally rearranged (TR) poly(hydroxyimides) (HPI). To the best of our knowledge, this is the first report on the use of these fillers to modify properties of TR HPIs, except for our previous research on MCM-41 filled HPIs based on BPADA dianhydride. In this work, 6FDA-HAB and BPADA-HAB varying in gas permeability and properties were selected as matrices for preparation of mixed matrix membranes (MMM) with the aim of studying the effect of both the kind of filler and a matrix on thermal rearrangement and properties of the resultant TR-MMMs. In addition to pure gas permeability measurements, HPIs and MMMs were examined by WAXD, SEM, TGA, DMA, and tensile tests before and after thermal rearrangement. For all MMM precursors, the permeability increased in proportion to the filler loading (e.g. by 1.2-4.4 times for O-2) while selectivity remained virtually the same. The same effect of improved permeability and maintained selectivity was observed for the series of TR-MMMs; for example, TR-MMM based on 6FDA and filled with 7 wt% of MCM-41 exhibited 6.7 fold higher O-2 permeability over its filled precursor. The permeation properties of the filled membranes showed a strong dependence on both the kind of matrix and filler. The addition of MCM-41 particles to BPADA-HAB increased permeability more than the incorporation of the similar amount of MFI ones, while the contrary was true for 6FDA-HAB. The best result, comprising the position on the upper bound for He/N-2, has been achieved for 6FDA-HAB filled with 25 wt% of MFI, whereas its TR analogue showed the highest 20.4 fold permeability improvement.

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