Tag: M.W:0-100

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Oxazole(SMILESS: O1C=NC=C1,cas:288-42-6) is researched.Safety of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone. The article 《PO-322 exerts potent immunosuppressive effects in vitro and in vivo by selectively inhibiting SGK1 activity》 in relation to this compound, is published in British Journal of Pharmacology. Let’s take a look at the latest research on this compound (cas:288-42-6).

Background and Purpose : Immunosuppressive drugs have shown great promise in treating autoimmune diseases in recent years. A series of novel oxazole derivatives were screened for their immunosuppressive activity. PO-322 [1H-indole-2,3-dione 3-(1,3-benzoxazol-2-ylhydrazone)] was identified as the most effective of these compounds Here, we have investigated the mechanism(s) underlying the inhibition of T-cell proliferation in vitro by PO-322, as well as its effects on the delayed-type hypersensitivity (DTH) response and imiquimod-induced dermatitis in vivo. Exptl. Approach : T-cell proliferation and apoptosis were analyzed with flow cytometry. Cell viability was assessed with a CCK-8 assay. Protein kinase activity was assessed by SelectScreen Kinase Profiling Services. The phosphorylation of signal-regulated mols. was measured by Western blot. The effect of PO-322 on DTH and imiquimod-induced dermatitis was evaluated in BALB/c mice. Key Results : PO-322 inhibited human T-cell proliferation with anti-CD3/anti-CD28 mAbs or alloantigen without significant cytotoxicity. Finally, treatment with PO-322 was safe and effective for ameliorating the DTH response and imiquimod-induced dermatitis in mice. Conclusions and Implications : PO-322 exerted immunosuppressive activity in vitro and in vivo by selectively inhibiting SGK1 activity. PO-322 represents a potential lead compound for the design and development of new drugs for the treatment of autoimmune diseases.

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Oxazolidine – Wikipedia,
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Recommanded Product: 288-42-6. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Light-Promoted Copper-Catalyzed Enantioselective Alkylation of Azoles. Author is Li, Chen; Chen, Bin; Ma, Xiaodong; Mo, Xueling; Zhang, Guozhu.

A catalytic asym. alkylation of azoles with secondary 1-arylalkyl bromides through direct C-H functionalization is reported. Under blue-light photoexcitation, a copper(I)/carbazole-based bisoxazoline (CbzBox) catalytic system exhibits good reactivity and high stereoselectivity, thus offering an efficient strategy for the construction of chiral alkyl azoles. These reactions proceed at low temperature and are compatible with a wide range of azoles.

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Arshad, Mohammad published an article about the compound: Oxazole( cas:288-42-6,SMILESS:O1C=NC=C1 ).HPLC of Formula: 288-42-6. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:288-42-6) through the article.

Abstract: The recent study represented, the computational anal., synthesis, characterization, antimicrobial and mol. docking assessment of three compounds with some important heterocyclic nucleus such as pyrimidine oxazole and pyrazole. The structures of the compounds were drawn by Chem Draw Ultra 8.0 and the drug-likeness properties were calculated by molinspiration, the results exhibited that all the compounds were bioactive. The bioactive compounds were then synthesized, characterized and screened for antimicrobial effect and the results, were compared, with ciprofloxacin. The results revealed that the compounds (1-3) exhibited significant antibacterial potential and strongly recommended the computational results. MTT assay was also performed to assess the percent viability of the cells (HepG2), and the findings revealed that the compounds were less toxic in nature and possess the percent viability 95-98% at 3.125 μM. Furthermore, the mol. docking was performed using the protein Glc-N-6-P synthase to find out the binding affinity and the H-bonding and the findings exhibited that compound-3 possessed the H-bonding with seven amino acid residues of the protein with the binding affinity in the range – 7.6 to – 6.6 kcal/mol. Graphic abstract: [graphic not available: see fulltext]

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Oxazolidine – Wikipedia,
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Formula: C3H3NO. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Synthesis and preliminary evaluation of a novel positron emission tomography (PET) ligand for imaging fatty acid amide hydrolase (FAAH). Author is Chen, Zhen; Hou, Lu; Gan, Jiefeng; Cai, Qijun; Ye, Weijian; Chen, Jiahui; Tan, Zhiqiang; Zheng, Chao; Li, Guocong; Xu, Hao; Fowler, Christopher J.; Liang, Steven H.; Wang, Lu.

Fatty acid amide hydrolase (FAAH) exerts its main function in the catabolism of the endogenous chem. messenger anandamide (AEA), thus modulating the endocannabinoid (eCB) pathway. Inhibition of FAAH may serve as an effective strategy to relieve anxiety and possibly other central nervous system (CNS)-related disorders. Positron emission tomog. (PET) would facilitate us to better understand the relationship between FAAH in certain disease conditions, and accelerate clin. translation of FAAH inhibitors by providing in vivo quant. information. So far, most PET tracers show irreversible binding patterns with FAAH, which would result in complicated quant. processes. Herein, we have identified a new FAAH inhibitor (1-((1-methyl-1H-indol-2-yl)methyl)piperidin-4-yl)(oxazol-2-yl)methanone (8) which inhibits the hydrolysis of AEA in the brain with high potency (IC50 value 11 nM at a substrate concentration of 0.5μM), and without showing time-dependency. The PET tracer [11C]8 (also called [11C]FAAH-1906) was successfully radiolabeled with [11C]MeI in 17 ± 6% decay-corrected radiochem. yield (n = 7) with >74.0 GBq/μmol (2 Ci/μmol) molar activity and >99% radiochem. purity. Ex vivo biodistribution and blocking studies of [11C]8 in normal mice were also conducted, indicating good brain penetration, high brain target selectivity, and modest to excellent target selectivity in peripheral tissues. Thus, [11C]8 is a potentially useful PET ligand with enzyme inhibitory and target binding properties consistent with a reversible mode of action.

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Oxazolidine – Wikipedia,
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Quality Control of Oxazole. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Ag-Cu copromoted direct C2-H bond thiolation of azoles with Bunte salts as sulfur sources.

A direct C2-H thiolation of azoles with Bunte salts was achieved under the combined action of copper and silver salts. This protocol could furnish various substituted 2-arylthio- or 2-alkylthio-substituted azoles in moderate to good yields. This method has a broad substrate scope and shows good functional group tolerance.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Crystal Growth & Design called Substituent-Controlled Tailoring of Chalcogen-Bonded Supramolecular Nanoribbons in the Solid State, Author is Biot, Nicolas; Romito, Deborah; Bonifazi, Davide, which mentions a compound: 288-42-6, SMILESS is O1C=NC=C1, Molecular C3H3NO, Application of 288-42-6.

In this work, we design and synthesize supramol. 2,5-substituted chalcogenazolo[5,4-β]pyridine (CGP) synthons arranging in supramol. ribbons at the solid state. A careful choice of the combination of substituents at the 2- and 5-positions on the CGP scaffold is outlined to accomplish supramol. materials by means of multiple hybrid interactions, comprising both chalcogen and hydrogen bonds. Depending on the steric and electronic properties of the substituents, different solid-state arrangements have been achieved. Among the different moieties on the 5-position, an oxazole unit has been incorporated on the Se- and Te-congeners by Pd-catalyzed cross-coupling reaction and a supramol. ribbon-like organization was consistently obtained at the solid state. In this work, we design 2,5-substituted chalcogenazolo[5,4-β]pyridine (CGP) synthons arranging in supramol. ribbons at the solid state. Depending on the substituents at the 2- and 5-positions on the CGP scaffold, different solid-state arrangements comprising multiple hybrid interactions, i.e., chalcogen and hydrogen bonds, could be achieved.

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Oxazolidine – Wikipedia,
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Application of 288-42-6. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Conformational shifts of stacked heteroaromatics: vacuum vs. water studied by machine learning. Author is Loeffler, Johannes R.; Fernandez-Quintero, Monica L.; Waibl, Franz; Quoika, Patrick K.; Hofer, Florian; Schauperl, Michael; Liedl, Klaus R..

Stacking interactions play a crucial role in drug design, as we can find aromatic cores or scaffolds in almost any available small mol. drug. To predict optimal binding geometries and enhance stacking interactions, usually high-level quantum mech. calculations are performed. These calculations have two major drawbacks: they are very time consuming, and solvation can only be considered using implicit solvation. Therefore, most calculations are performed in vacuum. However, recent studies have revealed a direct correlation between the desolvation penalty, vacuum stacking interactions and binding affinity, making predictions even more difficult. To overcome the drawbacks of quantum mech. calculations, in this study we use neural networks to perform fast geometry optimizations and mol. dynamics simulations of heteroaromatics stacked with toluene in vacuum and in explicit solvation. We show that the resulting energies in vacuum are in good agreement with high-level quantum mech. calculations Furthermore, we show that using explicit solvation substantially influences the favored orientations of heteroaromatic rings thereby emphasizing the necessity to include solvation properties starting from the earliest phases of drug design.

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Oxazolidine – Wikipedia,
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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 288-42-6, is researched, Molecular C3H3NO, about Current Scenario of 1,3-oxazole Derivatives for Anticancer Activity, the main research direction is review oxazole anticancer agent neoplasm; 1; 3-oxazole; Anticancer; Drug-resistant; Drug-susceptible; Heterocycles; Mechanisms of action.Synthetic Route of C3H3NO.

A review. Cancer, which has been cursed for human beings for long time is considered as one of the leading causes of morbidity and mortality across the world. In spite of different types of treatments available, chemotherapy is still deemed as a favored treatment for the cancer. Unfortunately, many currently accessible anticancer agents have developed multidrug resistance along with fatal adverse effects. Therefore, intensive efforts have been made to seek for new active drugs with improved anticancer efficacy and reduced adverse effects. In recent years, the emergence of heterocyclic ring-containing anticancer agents has gained a great deal of attention among medicinal chemists. 1,3- oxazole is a versatile heterocyclic compound, and its derivatives possess broad-spectrum pharmacol. properties, including anticancer activity against both drug-susceptible, drug-resistant and even multidrug-resistant cancer cell lines through multiple mechanisms. Thus, the 1,3-oxazole moiety is a useful template for the development of novel anticancer agents. This review will provide a comprehensive overview of the recent advances on 1,3-oxazole derivatives with potential therapeutic applications as anticancer agents, focus on the chem. structures, anticancer activity, and mechanisms of action.

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Product Details of 288-42-6. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Photoenzymatic Hydrogenation of Heteroaromatic Olefins Using ′Ene′-Reductases with Photoredox Catalysts. Author is Nakano, Yuji; Black, Michael J.; Meichan, Andrew J.; Sandoval, Braddock A.; Chung, Megan M.; Biegasiewicz, Kyle F.; Zhu, Tianyu; Hyster, Todd K..

Flavin-dependent ′ene′-reductases (EREDs) are highly selective catalysts for the asym. reduction of activated alkenes. This function is, however, limited to enones, enoates, and nitroalkenes using the native hydride transfer mechanism. Here we demonstrate that EREDs can reduce vinyl pyridines when irradiated with visible light in the presence of a photoredox catalyst. Exptl. evidence suggests the reaction proceeds via a radical mechanism where the vinyl pyridine is reduced to the corresponding neutral benzylic radical in solution DFT calculations reveal this radical to be “”dynamically stable””, suggesting it is sufficiently long-lived to diffuse into the enzyme active site for stereoselective hydrogen atom transfer. This reduction mechanism is distinct from the native one, highlighting the opportunity to expand the synthetic capabilities of existing enzyme platforms by exploiting new mechanistic models.

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Oxazolidine – Wikipedia,
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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 288-42-6, is researched, SMILESS is O1C=NC=C1, Molecular C3H3NOJournal, Article, Research Support, Non-U.S. Gov’t, Scientific Reports called Kinetics of Photo-Oxidation of Oxazole and its Substituents by Singlet Oxygen, Author is Zeinali, Nassim; Oluwoye, Ibukun; Altarawneh, Mohammednoor; Dlugogorski, Bogdan Z., the main research direction is oxazole photooxidation kinetics Diels Alder reaction mechanism activation energy.Safety of Oxazole.

Oxazole has critical roles not only in heterocycle (bio)chem. research, but also as the backbone of many active natural and medicinal species. These diverse and specialised functions can be attributed to the unique physicochem. properties of oxazole. This contribution investigates the reaction of oxazole and its derivatives with singlet oxygen, employing d. functional theory DFT-B3LYP calculations The absence of allylic hydrogen in oxazole eliminates the ene-mode addition of singlet oxygen to the aromatic ring. Therefore, the primary reaction pathway constitutes the [4 + 2]-cycloaddition of singlet oxygen to oxazole ring, favoring an energetically accessible corridor of 57 kJ/mol to produce imino-anhydride which is postulated to convert to triamide end-product in subsequent steps. The pseudo-first-order reaction rate for substituted oxazole (e.g., 4-methyl-2,5-diphenyloxazole, 1.14 x 106 M-1 s-1) appears slightly higher than that of unsubstituted oxazole (0.94 x 106 M-1 s-1) considering the same initial concentration of the species at 300 K, due to the electronic effect of the functional groups. The global reactivity descriptors have justified the relative influence of the functional groups along with their resp. physiochem. properties.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem