Heterocyclic Building Blocks-Oxazolidine

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

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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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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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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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Prevention and rescue of cardiac dysfunction by methanocarba adenosine monophosphonate derivatives, the main research direction is cardiac dysfunction methanocarba adenosine monophosphonate derivative; Adenine nucleoside phosphonate; Cardiac function; Heart failures; Purinergic receptors.Related Products of 5451-40-1.

Abstract: Accumulating evidence supports a therapeutic role of purinergic signaling in cardiac diseases. Previously, efficacy of systemically infused MRS2339, a charged methanocarba derivative of 2-Cl-adenosine monophosphate, was demonstrated in animal models of heart failure. We now test the hypothesis that an uncharged adenine nucleoside phosphonate, suitable as an oral agent with a hydrolysis-resistant phospho moiety, can prevent the development of cardiac dysfunction in a post-infarction ischemic or pressure overload-induced heart failure model in mice. The diester-masked uncharged phosphonate MRS2978 was efficacious in preventing cardiac dysfunction with improved LV fractional shortening when administered orally at the onset of ischemic or pressure overload-induced heart failure. MRS2925, the charged, unmasked MRS2978 analog, prevented heart dysfunction when infused s.c. but not by oral gavage. When administered orally or systemically, MRS2978 but not MRS2925 could also rescue established cardiac dysfunction in both ischemic and pressure overload heart failure models. The diester-masked phosphate MRS4074 was highly efficacious at preventing the development of dysfunction as well as in rescuing pressure overload-induced and ischemic heart failure. MRS2978 was orally bioavailable (57-75%) giving rise to MRS2925 as a minor metabolite in vivo, tested in rats. The data are consistent with a novel therapeutic role of adenine nucleoside phosphonates in systolic heart failure.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Wood ash biocatalyst as a novel green catalyst and its application for the synthesis of benzochromene derivatives.Application In Synthesis of Ethyl 3-bromo-2-oxopropanoate.

This study investigates the catalytic activity of wood ash as a heterogeneous catalyst for the synthesis of benzochromene derivatives I (R = Me, 4-methoxyphenyl, Ph, Et, 4-methylphenyl; R1 = 4-methoxyphenyl, C(O)OC2H5, 4-methylphenyl). Several wood ash catalysts, comprising calcium- and potassium-rich carbonates, were prepared from different natural resources under various combustion temperatures The prepared catalysts were characterized by Fourier transform IR, SEM, energy dispersive X-ray anal., transmission electron microscopy, and X-ray diffraction techniques. Catalytic efficiency of the resultant catalysts was tested in the synthesis of benzochromene derivatives I. The exptl. studies clarified that the catalyst prepared at 850 °C could efficiently expedite the formation of three-component synthesis of benzochromene derivatives I in water at 80 °C with high yields. Indeed, alkali, alk. metal, and metal oxides such as Al2O3, SiO2, MgO, CaO, and Fe2O3, are widely utilized as both catalyst and catalyst support in the heterogeneous catalytic processes. The prepared wood ash catalysts (possessing metal oxides, e.g., CuO, Al2O3, SiO2, and CaO) could effectively prompt the electrophilic activity of the carbonyl groups during the nucleophilic attack intermediate, enhancing the efficiency of the reactions.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Kapadiya, Khushal M.; Khunt, Ranjan C. published the article 《Discovery of Hybrid Purine-quinoline Molecules and Their Cytotoxic Evaluation》. Keywords: purine quinoline hybrid mol NSCLC cytotoxicity.They researched the compound: 2,6-Dichloropurine( cas:5451-40-1 ).COA of Formula: C5H2Cl2N4. 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:5451-40-1) here.

Apart from the “”hit drugs””, there are many others being studied for their potent activity against several hostilities. To date, anticancer research has been exploited on the inherent versatility and active core skeleton of the compounds Literature suggests that nitrogen rich mols. are most active and found in their potent cancer activity. Purine-based compounds such as olomoucine and roscovitine, which contain other heterobicyclic ring systems, are useful for the cell proliferation inhibitors in the treatment of many types of cancer. We put forward the novel purine based compounds, aryl amino-quinoline-purine by a two-step procedure. In the first step, nitrogen rich mol. was synthesized by the coupling of 2,6- dichloropurine with 3-aminoquinoline in an acidic reaction conditions at the C-6 position of purine. Aryl amines were introduced at the C-2 position by acid catalyst and using polar solvent at comparatively higher reaction conditions to furnish the desired products. Stereochem. aspect was introduced for the identification of attachment of 3-aminoquinoline at the C-2/C-6 position of purine and it was concluded by the spectral anal. (HMBC spectrum). The spectral data revealed that the first chloro-amine coupling was directed at the C-6 position rather than C-2 and the second chloro-amine coupling by various aryl amines were directed at the C-2 position. The applications of synthesized compounds were identified by their cytotoxic study against NCI-60 cell-lines. Out of nine selected mols. by NCI, 5a has shown promising response in a single dose study and GI50 value, 7.57μM indicated that it has 7.57% lethality over HOP-92 cell-line (non-small cell lung cancer panel). Two straightforward novelties were introduced, first stereochem. identification for chloro-amine coupling in purine either at the C-2 or C-6 position on the basis of HMBC spectrum. And a second type of uniqueness was to identify better anti-cancer agents out of synthesized scaffolds. Overall study shows that compound 5a is a novel therapeutic agent after modification for the treatment of non-small cell lung and it satisfied determined threshold growth inhibition criteria at a single dose level.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Product Details of 5451-40-1. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Discovery of 3-(((9H-purin-6-yl)amino)methyl)-4,6-dimethylpyridin-2(1H)-one derivatives as novel tubulin polymerization inhibitors for treatment of cancer. Author is Zhang, Qiangsheng; Hu, Xi; Wan, Guoquan; Wang, Jia; Li, Lu; Wu, Xiuli; Liu, Zhihao; Yu, Luoting.

A new series of 3-(((9H-purin-6-yl)amino)methyl)-4,6-dimethylpyridin-2(1H)-one derivatives I [R1 = H, i-Pr, Et2CH, cyclopentyl, tetrahydropyran-2-yl; R2 = H, Cl, 4-F3COC6H4, 3-(morpholin-4-yl)phenyl, 6-(4-methylpiperazin-1-yl)pyridin-3-yl, etc.] was designed, synthesized and demonstrated to act as tubulin polymerization inhibitors. These new derivatives showed significant antitumor activities, among which compound I [R1 = cyclopentyl; R2 = Cl (II)] was found to be the most potent compound, with IC50 values ranging from 44.5 to 135.5 nM against seven colorectal carcinoma (CRC) cell lines. Remarkably, compound II exhibited no activity against other potential targets, such as 420 kinases and EZH2. Besides, compound II inhibited tubulin polymerization, arrested the cell cycle at the G2/M phase and induced apoptosis in CRC cells. Furthermore, compound II suppressed tumor growth in the HCT116 xenograft model without inducing notable major organ-related toxicity, suggesting that this compound could be used as a promising lead compound for the development of new antitumor agents.

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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 Electrochemical Synthesis Based on the Oxidation of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone in the Presence of Nucleophiles, the main research direction is benzothiazolylthio benzoxazolylthio piperazinylphenol electrochem preparation; toluenesulfonyl benzothiazolylthio benzoquinone chemoselective electrochem preparation; electrochem oxidation piperazinylphenol benzothiazolethiol benzoxazolethiol; toluenesulfinic acid electrochem oxidation substitution benzothiazolylthio piperazinylphenol; cyclic voltammetric analysis oxidation substitution reaction piperazinylphenol; mechanism electrochem oxidation substitution piperazinylphenol.SDS of cas: 67914-60-7.

Electrochem. oxidation of piperazinylphenol I (R = R1 = H) with 2-benzoxazolethiol or 2-benzothiazolethiol yielded the bis(benzoxazolethiyl)phenol I (R = R1 = 2-benzoxazolylthio) and bis(benzothiazolethiyl)phenol I (R = R1 = 2-benzothiazolylthio) in 87% and 93% yields, resp. Further electrochem. oxidation of I (R = R1 = 2-benzothiazolylthio) in the presence of p-toluenesulfinic acid (TsH) gave (tosyl)(benzothiazolylthio)quinone II (Ts = 4-MeC6H4SO2); attempted direct electrochem. synthesis of II from I (R = R1 = H), 2-benzothiazolethiol, and TsH, from I (R = R1 = 2-benzothiazolylthio) and TsH in the absence of elec. potential, and from I (R = Ts; R1 = H) and 2-benzothiazolethiol were not successful. Cyclic voltammetric measurements during the reactions of I (R = H, 2-benzothiazolylthio, Ts; R1 = H, 2-benzothiazolylthio) were used to delineate the mechanisms of formation of I (R = R1 = 2-benzothiazolylthio) and II.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Synthesis, molecular modeling and biological activity of methyl and thiomethyl substituted pyrimidines as corticotropin releasing hormone type 1 antagonists, the main research direction is methyl thiomethyl substituted pyrimidine preparation mol modeling biol activity; corticotropin releasing hormone antagonist methyl thiomethyl substituted pyrimidine.Formula: C5H6N2O2.

Four small, targeted libraries of differentially substituted amino pyrimidines were synthesized in moderate to good yields. Excellent regiochem. was observed for substitution at C2/C4 with selectivity >50 : 1 noted. All analogs were screened for their ability to interact with CRH1 and CRH2 receptors. In all instances only poor agonistic and/or antagonistic behavior was noted at CRH2. However, several compounds were potent and selective CRH1 antagonists, most notably one compound showed Ki = 39 nM. Addnl. we have utilized these data and that recently reported by others to refine our original CRH1 pharmacophore (J. Med. Chem., 1999, 42, 2351-2357).

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem