Day: April 2, 2021

In an article, author is Purkait, Suranjana, once mentioned the application of 6704-31-0, Computed Properties of C3H4O2, Name is Oxetan-3-one, molecular formula is C3H4O2, molecular weight is 72.0627, MDL number is MFCD09263255, category is oxazolidines. Now introduce a scientific discovery about this category.

Zinc(II) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation

Condensation of N-(2-hydroxyethyl)ethylenediamine and pyridine-2-carbaldehyde in the presence of ZnX2 salts (X = ClO4-, Cl-, Br-, I-) generates four complexes, namely, [ZnL1Cl](ClO4) (1), [ZnL1Cl][ZnCl3(H2O)]center dot 2H(2)O (2), [ZnL1Br][ZnBr3(H2O)]center dot 2H(2)O (3), and [Zn(L2)(3)]I-2 (4), where L1 and L2 are aminal and hemiaminal ether derivatives, i.e., (E)-N-((pyridine-2-ypmethylene)-2-((2-pyridine-2-yl)oxazolidin-3-yl)pethanamine and 2-(2-pyridin-2-yl-imidazolidin-1-yl)-ethanol, respectively. No complex with the expected Schiff-base ligand (E)-2-(2-(pyridin-2-ylmethyleneamino)ethylamino)ethanol (L) or with 2-(2-pyridyl-3-(2-hydroxyethyl))oxazolidine (L3) was obtained. The structures of complexes 1, 3, and 4 have been elucidated by single crystal X-ray diffraction. All the complexes have been characterized by detailed NMR (H-1, C-13 and DEPT-135) and ESI-MS analyses, indicating retention of solid state structures in the solution phase. Complex 1 deserves special mention as during its formation, the ClO4- ion undergoes reduction to Cl- and thus, it forms a mixed anionic ligand complex. Thorough DFT calculations have been performed at the BP86-D3/def2-TZVP level of theory to rationalize the ligand and complex formation. The calculations suggest that the aminal form (L1) is the most favored species followed by the Schiff-base, whereas the hemiaminal ether form (L3) is the least preferred one. The role of halides during the formation of the monoanionic [ZnX3(H2O)](-) species is crucial, and the achieved complex is highly favored when X = Cl and disfavored for X = I; this trend has been rationalized by the DFT calculations. The phosphatase activities of the complexes have been investigated, and their efficiencies follow the order 2 > 1 > 3 > 4.

If you are interested in 6704-31-0, you can contact me at any time and look forward to more communication. Computed Properties of C3H4O2.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Application In Synthesis of (S)-4-Phenyloxazolidin-2-one, 99395-88-7, Name is (S)-4-Phenyloxazolidin-2-one, molecular formula is C9H9NO2, belongs to oxazolidines compound. In a document, author is Ghareb, Nagat, introduce the new discover.

Toward a treatment of diabesity: Rational design, synthesis and biological evaluation of benzene-sulfonamide derivatives as a new class of PTP-1B inhibitors

Targeting of protein tyrosine phosphatase-1B (PTP1B) has emerged as a promising strategy for therapeutic intervention of diabetes and obesity. Investigation of new inhibitors with good bioavailability and high selectivity is the major challenge of drug discovery program targeting PTP1B. Therefore, herein, new neutral benzenesulfonamide containing compounds were designed, synthesized and biologically evaluated as potent PTP1B inhibitors. New series of thiazolidine, oxazolidine, thiazinan, oxazinan, oxazole, thiazole, tetrazole, cyanopyridine, chromenone, and iminochromene of benzene-sulfonamide derivatives (MSE-1 to MSE-15) were synthesized in a good yield under mild condition using sulfadiazine as a starting material. Among the synthesized compounds, MSE-13 and MSE-14 showed the most in vitro potent PTP-1B inhibitory activity (IC50 of 0.88 mu M and 3.33 mu M, respectively). Animal treatment by the target compounds significantly improved the insulin resistance, diminished plasma glucose level, decreased initial body weight, and normalized the serum lipid profile compared to pioglitazone, a standard PTP1B inhibitor. The molecular modeling study showed a high affinity and selectivity of our synthesized compounds to the active site and B-site of PTP1B holding hydrogen bonding, hydrophobic, and electrostatic interactions. Furthermore, Electrostatic Surface Potential (ESP) and HOMO/LUMO analysis indicated the importance of sulfamoyl moiety for PTP1B binding. In silico ADME predictions of such compounds also showed the promising pharmacokinetic and physicochemical properties. The proposed compounds could be considered a lead inhibitory scaffold to PTP1B.

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 99395-88-7. Application In Synthesis of (S)-4-Phenyloxazolidin-2-one.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 34052-90-9, Name is 1,3-Bis(4,5-dihydrooxazol-2-yl)benzene, molecular formula is C12H12N2O2. In an article, author is Fan, Qing,once mentioned of 34052-90-9, Recommanded Product: 34052-90-9.

Preparation and Enantioseparation of a New Click Derived beta-Cyclodextrin Chiral Stationary Phase

A new cyclodextrin-derived chiral stationary phase (denoted as CDA-CSP) was synthesized by immobilizing mono(6(A)-azido-6(A)-deoxy)-per(p-chlorophenyl carbamoylated) beta-cyclodextrin derivative to alkynyl modified silica via click chemistry. This newly prepared CSP shows good enantioseparation performance for six chiral compounds (1-6), such as 4-phenyl-oxazolidine-2-thione, two kinds of aryl alcohols, substituted flavonoids and benzoin, in which baseline separation of Analytes 1-4 was achieved under the experimental conditions. The effects of column temperature, mobile phase pH and content of methanol on the enantioseparation characteristics of CDA-CSP were investigated in detail. Retention factor and resolution for Compound 3 gradually reduced with an increase of column temperature, and a good linear relationship was shown between napierian logarithm of selectivity factor and reciprocal of column temperature. In the pH range from 3.56 to 5.50, a change in pH hardly affected the resolution of Analyte 2. In addition, increasing methanol in the mobile phase resulted in rapid eluting of the analytes from the column in reversed-phase mode. The retention factors for Analytes 1 and 3 significantly decreased and their resolution showed different trends.

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Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

Synthetic Route of 16251-45-9, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 16251-45-9, Name is (4S,5R)-4-Methyl-5-phenyloxazolidin-2-one, SMILES is O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1, belongs to oxazolidines compound. In a article, author is Daolio, Andrea, introduce new discover of the category.

Binding motif of ebselen in solution: chalcogen and hydrogen bonds team up

Ebselen (2-phenyl-1,2-benzoselenazol-3(2H)one), a glutathione peroxidase mimic, is active against several RNA viruses, among others the retrovirus responsible for the COVID-19 pandemic. In this paper Se-77 and H-1 NMR studies of ebselen are reported and they identify the chalcogen bond (ChB) and hydrogen bond (HB) that are central in the landscape of interactions formed by the compound in solution. The selenium atom and the hydrogen atom at the C7 carbon act as ChB and HB donors and the O and N atoms of neutral molecules function as acceptors. The ChB and HB give rise to a bifurcated supramolecular synthon, which fastens the interaction acceptor opposite to the N-Se covalent bond of the selenazole ring. It is known that the biologically important reaction of ebselen with cysteine thiol groups is favoured when selenium acts as a chalcogen bond donor.

Synthetic Route of 16251-45-9, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 16251-45-9 is helpful to your research.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 90319-52-1, Name is (R)-4-Phenyloxazolidin-2-one, molecular formula is , belongs to oxazolidines compound. In a document, author is Cetina, Mario, Recommanded Product: 90319-52-1.

Intermolecular Interactions in Dihydrothymine Derivatives Form Two-Dimensional and Three-Dimensional Networks

In this paper, inter- or intra-molecular induced oxazolidine ring opening of two bicyclic nucleosides during recrystallisation are presented. The structures of these two compounds, azide derivative 2 and -NHBz derivative 3, as well as bicyclic O-trityl derivative 1, have been determined by single crystal X-ray diffraction method. The aim of this work was to understand the influence of structural differences of dihydrothymines on their supramolecular assemblies. In the crystal structure of 1, which crystallized with one ethanol molecule in the asymmetric unit, O-H center dot center dot center dot N and C-H center dot center dot center dot O intermolecular hydrogen bonds form two-dimensional network. One C-H center dot center dot center dot pi interaction extends two-dimensional network into three-dimensional. Supramolecular structure of 2 is a three-dimensional net-work formed by N-H center dot center dot center dot O, O-H center dot center dot center dot O, C-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen bonds. Compound 3 crystallized with two independent molecules and two water molecules in the asymmetric unit and displays the greatest number of intermolecular interactions. Interestingly, although N-H center dot center dot center dot O, O-H center dot center dot center dot N, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds are formed, as well as two C-H center dot center dot center dot pi interactions, the result is only a two-dimensional network. Graphical Abstract In this paper crystal structures of three dihydrothymine derivatives which built different supramolecular architectures are presented and it is shown how weak interaction, such as C-H center dot center dot center dot pi interaction, can form higher-order supramolecular structure, from two-dimensional to three-dimensional network. [GRAPHICS] .

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 90319-52-1, in my other articles. Recommanded Product: 90319-52-1.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

Synthetic Route of 6704-31-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 6704-31-0, Name is Oxetan-3-one, SMILES is O1CC(C1)=O, belongs to oxazolidines compound. In a article, author is Karaman, Nurcan, introduce new discover of the category.

Design and evaluation of biological activities of 1,3-oxazolidinone derivatives bearing amide, sulfonamide, and thiourea moieties

1,3-Oxazolidine-2-one is an important heterocyclic ring participating in the chemical structure of many drugs. In this research, 22 new amide/sulfonamide/thiourea derivatives (1-22) were obtained by the reaction of (S)-4-(4-aminobenzyl)-2(1H)-1,3-oxazolidinone with 4-substituted benzoyl chlorides, 4-substituted benzene sulfonyl chlorides, and 4-substituted phenyl isothiocyanates. The structures of all synthesized compounds were clarified by FT-IR, NMR, and mass spectroscopic and elemental analysis techniques. The synthesized compounds were screened for their antimicrobial activity. Antimicrobial susceptibility and cellular physiology were evaluated using the microbroth dilution assay and the flow cytometry method. As a result, it was determined that compound 16 displayed better antimicrobial activity than chloramphenicol against Gram-positive bacteria, especially Staphylococcus aureus. In order to understand the mechanism of effect of the compounds on the cell membrane, fluorescence microscopy was used. Cell membrane damage of the Gram positive bacteria treated with compound 16 was observed as a result of intense staining with propidium iodide. In addition, genotoxicity, cytotoxicity, and absorption, distribution, metabolism, and excretion (ADME) parameters of compound 16 were examined and it was found as non-mutagenic and non-cytotoxic at the concentration at which it showed antimicrobial activity. According to the calculated ADME parameters and drug likeness scores, the compounds can be good drug candidates, especially compound 16.

Synthetic Route of 6704-31-0, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 6704-31-0 is helpful to your research.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

In an article, author is Doerr, Aurelie A., once mentioned the application of 84793-24-8, Recommanded Product: 84793-24-8, Name is Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate, molecular formula is C16H19NO5, molecular weight is 305.3258, MDL number is MFCD00272296, category is oxazolidines. Now introduce a scientific discovery about this category.

Synthesis and peptide coupling of protected 2-pyrrolylalanine

2-Pyrrolylalanine has been synthesized in two protected forms and applied in the solution-phase synthesis of a dipeptide. (2S)-N-(Boc)-N’-(phenylsulfonyl)- and (2S)-N,N’-bis-(phenylsulfonyl)-3-(2-pyrrolyl)alanines (7 and 9) were obtained, respectively, in 14% and 13% overall yields and six and seven steps from oxazolidine beta-methyl ester 1, which was derived from L-aspartic acid. Homoallylic ketone 2 was obtained from a copper-catalyzed cascade addition of vinylmagnesium bromide to 1 and converted into pyrrolylalanines 7 and 9 by a sequence featuring subsequent olefin oxidation and Paal-Knorr condensation. Protected pyrrolylalanine 9 was then introduced into a dipeptide. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

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Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

Reference of 90319-52-1, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 90319-52-1, Name is (R)-4-Phenyloxazolidin-2-one, SMILES is O=C1OC[C@@H](C2=CC=CC=C2)N1, belongs to oxazolidines compound. In a article, author is Kabeshov, Mikhail A., introduce new discover of the category.

Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation

Comprehensive mechanistic studies on the enantioselective aldol reaction between isatin (1a) and acetone, catalyzed by L-leucinol (3a), unraveled that isatin, apart from being a substrate, also plays an active catalytic role. Conversion of the intermediate oxazolidine 4 into the reactive syn-enamine 6, catalyzed by isatin, was identified as the rate-determining step by both the calculations (G=26.1kcalmol(-1) for the analogous L-alaninol, 3b) and the kinetic isotope effect (k(H)/k(D)=2.7 observed for the reaction using [D-6]acetone). The subsequent reaction of the syn-enamine 6 with isatin produces (S)-2a (calculated G=11.6kcalmol(-1)). The calculations suggest that the overall stereochemistry is controlled by two key events: 1)the isatin-catalyzed formation of the syn-enamine 6, which is thermodynamically favored over its anti-rotamer 7 by 2.3kcalmol(-1); and 2)the high preference of the syn-enamine 6 to produce (S)-2a on reaction with isatin (1a) rather than its enantiomer (G=2.6kcalmol(-1)).

Reference of 90319-52-1, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 90319-52-1.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

Application of 84793-24-8, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 84793-24-8, Name is Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate, SMILES is O=C(OCC)[C@@H](N([C@H]1C)C(OC1=O)=O)CCC2=CC=CC=C2, belongs to oxazolidines compound. In a article, author is Rocha, Felipe de Sa, introduce new discover of the category.

Thermodynamic Characterization of Mixed Monolayers of a Novel Oxazolidine Derivative and Phospholipids

Oxazolidine derivatives (OxD) are five ring-membered compounds that contain at least one oxygen and nitrogen in their molecular structure. OxD are known due to several therapeutic activities such as anticancer and antibiotic properties. In this paper, we performed a thermodynamic analysis of the mixed films composed by dipalmitoylphosphatidylglycerol (DPPG), dipalmitoylphosphoethanolamine (DPPE), dipalmitoyl phosphatidylcholine (DPPC) or L-alpha phosphatidylcholine (PC) with a novel oxazolidine derivate (OxD). Relevant thermodynamic parameters such as excess areas (Delta AE), excess free energies (Delta G), and Gibbs free energy of mixing (AG(mix)) were derived from the surface pressure data. The topographical analysis was performed using atomic force microscopy. Based on the calculated values of the thermodynamic parameters, we observed that the miscibility of the mixed films was directly dependent on their composition. DPPG/OxD and DPPE/OxD systems present the best-mixed character at low pressures at OxD molar fraction equivalent to 0.25.

Application of 84793-24-8, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 84793-24-8 is helpful to your research.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem

 

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, SDS of cas: 16251-45-9, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 16251-45-9, Name is (4S,5R)-4-Methyl-5-phenyloxazolidin-2-one, molecular formula is C10H11NO2. In an article, author is Chang, Jun,once mentioned of 16251-45-9.

Synthesis and Anti-HBV Activity of Novel 3 ‘-N-phenylsulfonyl Docetaxel Analogs

Nine new 3’-N-phenylsulfonyl docetaxel analogs were synthesized in good yields from the key intermediate N-phenylsulfonyl oxazolidine via a six-step route. These analogs were tested for anti-hepatitis B virus (HBV) activity in vitro. Compounds 3e, 3g and 3j showed more potent inhibitory activity against HBeAg secretion than the positive control lamivudine. Further extensive SAR and mechanistic studies will be reported in due course.

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Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem