Month: April 2022

Formula: C5H2Cl2N4. 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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Neuroprotective potential of adenosine A1 receptor partial agonists in experimental models of cerebral ischemia. Author is Martire, Alberto; Lambertucci, Catia; Pepponi, Rita; Ferrante, Antonella; Benati, Nicholas; Buccioni, Michela; Dal Ben, Diego; Marucci, Gabriella; Klotz, Karl-Norbert; Volpini, Rosaria; Popoli, Patrizia.

Cerebral ischemia is the second most common cause of death and a major cause of disability worldwide. Available therapies are based only on anticoagulants or recombinant tissue plasminogen activator. Extracellular adenosine increases during ischemia and acts as a neuroprotective endogenous agent mainly by activating adenosine A1 receptors (A1Rs) which control calcium influx, glutamate release, membrane potential, and metabolism Accordingly, in many exptl. paradigms it has been already demonstrated that the stimulation of A1R with full agonists is able to reduce ischemia-related structural and functional brain damage; unfortunately, cardiovascular side effects and desensitization of A1R induced by these compounds have strongly limited their exploitation in stroke therapy so far. Among the newly emerging compounds, A1R partial agonists could be almost free of side effects and equally effective. Therefore, we decided to evaluate the neuroprotective potential of two A1R partial agonists, namely 2′-dCCPA and 3′-dCCPA, in in vitro and ex vivo exptl. models of cerebral ischemia. Within the exptl. paradigm of oxygen-glucose deprivation in vitro in human neuroblastoma (SH-SY5Y) cells both A1R partial agonists increased cell viability. Considering the high level of expression of A1Rs in the hippocampus and the susceptibility of CA1 region to hypoxia, we performed electrophysiol. experiments in this subfield. The application of 7 min of oxygen-glucose deprivation constantly produces an irreversible synaptic failure in all the C57Bl/6 mice hippocampal slices evaluated; both tested compounds allowed a significant recovery of synaptic transmission. These findings demonstrate that A1R and its partial agonists are still of interest for cerebral ischemia therapy. Open Science Badges : This article has received a badge for *Open Materials* because it provided all relevant information to reproduce the study in the manuscript. The complete Open Science Disclosure form for this article can be found at the end of the article. More information about the Open Practices badges can be found at https://cos.io/our-services/open-science-badges/.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Calorimetric and theoretical investigation of heat effects and reaction kinetics for nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP), published in 2012-09-30, which mentions a compound: 1194-22-5, mainly applied to calorimetric theor heat kinetics nitration methyldihydroxypyrimidine MDP, COA of Formula: C5H6N2O2.

The thermal effects accompanying the process of nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP) were studied. Measurements were performed using a reaction calorimeter DRC Evolution delivered by Setaram. The heat of solution of MDP in concentrated sulfuric acid (95%), the heat of mixing of nitric acid (100%) with sulfuric acid (95%) and the heating effect of nitration of MDP in a mixture of nitric and sulfuric acids were measured. The heat of solution of MDP was 95 ± 3 kj/mol, while the total heat effect of nitration MDP was 392 ± 9 kj/mol. The measured heat of solution of acids was 34 ± 2 kJ/mol HNO3. Anal. of literature data and own research allowed us to propose the model of kinetics for nitration of MDP. The model was used to simulate phenomena and reactions running in the reaction calorimeter. The exptl. data were compared with modeling results. The parameters of the rate constants of reactions running in the calorimeter were determined as a model for preparation of 1,1-diamino-2,2-dinitroethene (DADNE).

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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.Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet researched the compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone( cas:67914-60-7 ).Application In Synthesis of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone.They published the article 《1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone》 about this compound( cas:67914-60-7 ) in Acta Crystallographica, Section E: Structure Reports Online. Keywords: hydroxyphenylpiperazinylethanone crystal structure. We’ll tell you more about this compound (cas:67914-60-7).

In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7 (1)°. In the crystal, mols. are linked via O-H···O hydrogen bonds, forming chains propagating along [010].

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Ghazvini, Maryam; Sheikholeslami-Farahani, Fatemeh; Hamedani, Naghmeh Faal; Shahvelayati, Ashraf Sadat; Rostami, Zohreh published the article 《Bio-Fe3O4 Magnetic Nanoparticles Promoted Green Synthesis of thioxo-1,3-Oxazole Derivatives: Study of Antimicrobial and Antioxidant Activity》. Keywords: furooxazole thioxo preparation green chem antioxidant antibacterial activity; bromo ketone isothiocyanate multicomponent reaction ferrimagnetic magnetite nanocatalyst; 2-thioxo-1; 3-oxazole; Alkyl (aryl) isothiocyanates; Alkyl bromides; Fe3O4-MNPs; Orange peel extract; antioxidant ability.They researched the compound: Ethyl 3-bromo-2-oxopropanoate( cas:70-23-5 ).SDS of cas: 70-23-5. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:70-23-5) here.

In this work, 1,3-oxazoles I (R = COOEt, 4-methoxyphenyl, 4-methylphenyl, 4-bromophenyl; R1 = t-Bu, 4-methoxyphenyl, 4-nitrophenyl; R2 = COOEt, 4-methoxyphenyl, 4-methylphenyl, 4-bromophenyl) were generated using the multicomponent reaction of α-bromo ketones R/R2C(O)CH2Br, alkyl (aryl) isothiocyanates R1N=C=S, sodium hydride and Fe3O4 MNPs in the water at room temperature in good yields. The nanoparticles generated via the biosynthesis method have potential value in different purposes, such as organic synthesis. To study the antioxidant ability of some synthesized thioxo-1,3-oxazoles I, diphenyl-picrylhydrazine (DPPH) radical trapping and power of ferric reduction testes are employed. Among the studied thioxo-1,3-oxazoles, compound I (R = R2 = COOEt; R1 = 4-nitrophenyl) have good power for radical trapping and reduction activity than the standard antioxidants such as BHT and TBHQ. In addition, the antimicrobial activity of some thioxo-1,3-oxazoles I was studied, employing the disk diffusion test on Gram-pos. bacteria and Gram-neg. bacteria. The results of the disk diffusion test showed that compounds I (R = R2 = COOEt, R1 = 4-nitrophenyl; R = R2 = COOEt, R1 = 4-methoxyphenyl; R = R2 = 4-methoxyphenyl, R1 = t-Bu; R = R2 = 4-bromophenyl R1 = 4-nitrophenyl) prevented bacterial growth. Without employing catalyst, these reactions have low yield and busy mixture The synthesis of compound I (R = R2 = COOEt; R1 = 4-methoxyphenyl) as sample reaction has a similar yield in the presence of ZnO-NPs and Fe3O4 MNPs (entry 20 and entry 30), but the removal of catalyst from the mixture of reaction after the completion of the reaction is comfortable in the presence of Fe3O4 MNPs. Some of the advantages of performing these reactions with the present procedure are to carry out these reactions in water as a green solvent and simple removal of catalyst.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Name: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Synthesis and antimicrobial activity of new series of piperazine containing chalcone derivatives. Author is Kumar, J. Ranjith; Nissankararao, Srinath; Ushasri, S.; Rehaman, Sk. A..

Treatment of 1-acetyl-4-(4-hydroxyphenyl)piperazine with aromatic or substituted aromatic aldehydes in presence of methanol and potassium hydroxide, formed 3-substituted phenyl-1-(4-(4-hydroxylphenyl)piperzin-1-yl)-prop-2-en-1-one derivatives I (R = Ph, 4-ClC6H4, 4-FC6H4, etc.). These are assayed for their antibacterial activity against Bacillus pumilus, Bacillus subtilis, Escherichia coli, Proteus vulgaris and for antifungal activity against Aspergillus niger, Candida albicans strains. Antibacterial assay revealed that Bacillus subtilis and Proteus vulgaris were the most sensitive bacterial strains to compounds I (R = 4-ClC6H4, 4-FC6H4, 4-O2NC6H4, 2,4-di-MeOC6H3, 2,4-Cl2C6H3) and in the antifungal assay, compounds I (R = Ph, 4-FC6H4, 2,4-Cl2C6H3) were highly effective against Aspergillus niger when compared to other other investigated strains.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Dependence of mechanisms to thermodynamics in the electrochemical study of different electrophiles in the presence of some sulfur nucleophiles, the main research direction is electrophile isulfur nucleophile electrochem oxidation reaction mechanism.HPLC of Formula: 67914-60-7.

Abstract: Electrochem. study of different electrophiles in the presence of p-toluenesulfinic acid and 2-mercaptobenzothiazole as sulfur nucleophiles was investigated. Mechanistic study of the electrochem. reactions indicates that the electrochem. oxidation of some species in the presence of the sulfur groups has different mechanisms, but some other species in the presence of both sulfur nucleophiles have the same mechanism. To explain the reason for this difference, the computational study was used. Thermodn. investigation shows that when ΔGtot of the electrochem. oxidation of products are less than that of initial species, the electrochem. produced species can be oxidized during controlled-potential coulometry. The results of this work indicate that the computational study can be used to justify the reaction mechanisms. Cyclic voltammetry, linear sweep voltammetry, and controlled-potential coulometry were used to obtain the exptl. results. Also, by the use of BP86 level of theory and 6-31 + G(d,p) basis set, the theor. data were obtained.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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: 1194-22-5, is researched, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2Journal, Russian Journal of Applied Chemistry called Synthesis of 5-dinitromethyltetrazole, Author is Shastin, A. V.; Korsunskii, B. L.; Godovikova, T. I.; Lodygina, V. P., the main research direction is diamino dinitroethylene hydrazine hydrate condensation; amidrazone hydrazinium salt preparation heterocyclization sodium nitrite; dinitromethyl tetrazole thermal stability energetic.Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

A convenient method of synthesizing 5-dinitromethyltetrazole (I) via condensation of 1,1-diamino-2,2-dinitroethylene with hydrazine hydrate followed by sodium nitrite-mediated heterocyclization of the intermediate amidrazone hydrazinium salt, was developed. This method thus avoids the intermediate isolation of the explosive amidrazone itself.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Synthetic Route of C5H2Cl2N4. 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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Structure-Based Optimization of Quinazolines as Cruzain and TbrCATL Inhibitors. Author is Barbosa da Silva, Elany; Rocha, Debora A.; Fortes, Isadora S.; Yang, Wenqian; Monti, Ludovica; Siqueira-Neto, Jair L.; Caffrey, Conor R.; McKerrow, James; Andrade, Saulo F.; Ferreira, Rafaela S..

The cysteine proteases, cruzain and TbrCATL (rhodesain), are therapeutic targets for Chagas disease and Human African Trypanosomiasis, resp. Among the known inhibitors for these proteases, N4-benzyl-N2-phenylquinazoline-2,4-diamine (1a I [R1 = phenyl; R2 = benzyl] in this study), as a competitive cruzain inhibitor (Ki = 1.4μM) was described. The synthesis and biol. evaluation of 22 analogs I [R1 = Ph, 4-OH-Ph, 2-pyridyl; R2 = benzyl, Ph, 3-Cl-Ph, etc] of I [R1 = phenyl; R2 = benzyl], containing modifications in the quinazoline core, and in the substituents in positions 2 and 4 of this ring was described. The analogs I demonstrate low micromolar inhibition of the target proteases and cidal activity against Trypanosoma cruzi with up to two log selectivity indexes in counterscreens with myoblasts. Fourteen compounds were active against Trypanosoma brucei at low to mid micromolar concentrations During the optimization of I [R1 = phenyl; R2 = benzyl], structure-based design and prediction of physicochem. properties were employed to maintain potency against the enzymes while removing colloidal aggregator characteristics observed for some mols. in this series.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem