Heterocyclic Building Blocks-Oxazolidine

Shin, Bo Ram published the artcileComparison of the contents of benzo(a)pyrene, sesamol and sesamolin, and volatiles in sesame oils according to origins of sesame seeds, COA of Formula: C5H7NO, the publication is Applied Biological Chemistry (2016), 59(1), 129-141, database is CAplus.

The objective of the present study was to compare the contents of antioxidants (sesamol and sesamolin) and benzo(a)pyrene (BaP), as well as the volatile profiles in sesame oil obtained from sesame seeds cultivated in four different areas in Korea, and those cultivated in other countries, including Ethiopia, India, and China. The sesamol content was lower in Korean sesame oils than in Ethiopian, Indian, and Chinese sesame oils, whereas sesamolin content was higher in sesame oils derived from Korea than those in sesame oils derived from other countries. There was also a difference in the contents of BaP in the sesame oils obtained from seeds in different cultivated areas. The volatiles that allowed Korean samples to be discriminated from those of other countries were mainly pyrroles and sulfur-containing compounds such as 1-ethyl-1H-pyrrole, 2-ethyl-4-methyl-1H-pyrrole, 2,4-dimethylthiazole, and 5-ethyl-4-methylthiazole.

Applied Biological Chemistry published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C11H20N2O3, COA of Formula: C5H7NO.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Whelligan, Daniel K. published the artcileAminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: SAR and Structural Characterization, Formula: C5H7NO, the publication is Journal of Medicinal Chemistry (2010), 53(21), 7682-7698, database is CAplus and MEDLINE.

We report herein the first systematic exploration of inhibitors of the mitotic kinase Nek2. Starting from HTS hit aminopyrazine I, compounds with improved activity were identified using structure-based design. Our structural biol. investigations reveal two notable observations. First, I and related compounds bind to an unusual, inactive conformation of the kinase which to the best of our knowledge has not been reported for other types of kinase inhibitors. Second, a phenylalanine residue at the center of the ATP pocket strongly affects the ability of the inhibitor to bind to the protein. The implications of these observations are discussed, and the work described here defines key features for potent and selective Nek2 inhibition, which will aid the identification of more advanced inhibitors of Nek2.

Journal of Medicinal Chemistry published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C9H21NO3, Formula: C5H7NO.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Chen, Yue-Gang published the artcileNickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes, Safety of (4S,4’S)-2,2′-(Cyclohexane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole), the publication is Journal of the American Chemical Society (2019), 141(8), 3395-3399, database is CAplus and MEDLINE.

We have developed a Ni-catalyzed enantioselective hydroarylation of styrenes with arylboronic acids using MeOH as the hydrogen source, providing an efficient method to access 1,1-diarylalkanes, which are essential structural units in many biol. active compounds In addition, Ni-catalyzed enantioselective hydrovinylation of styrenes with vinylboronic acids is also realized with good yields and enantioselectivities. The synthetic utility was demonstrated by the efficient synthesis of (R)-(-)-ibuprofen.

Journal of the American Chemical Society published new progress about 2185014-88-2. 2185014-88-2 belongs to oxazolidine, auxiliary class BOX Ligands, name is (4S,4’S)-2,2′-(Cyclohexane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole), and the molecular formula is C24H26N2O2, Safety of (4S,4’S)-2,2′-(Cyclohexane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole).

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Shimoda, Mitsuya published the artcileIdentification and Sensory Characterization of Volatile Flavor Compounds in Sesame Seed Oil, SDS of cas: 20662-83-3, the publication is Journal of Agricultural and Food Chemistry (1996), 44(12), 3909-3912, database is CAplus.

Volatile flavor compounds in sesame seed oil were investigated. Com. processed sesame seed oil was steam distilled under reduced pressure, and volatiles from the distillate were separated by an adsorptive column method. Among 171 individual peaks detected, 134 peaks were definitely or tentatively identified by anal. of mass spectra and modified Kovats indexes. To elucidate the compounds directly contributing to the characteristic flavor, the odor concentrate was fractionated by silica gel thin-layer chromatog. and preparative gas chromatog. As a result, 1-(5-methyl-2-furanyl)-1-propanone, 3-formylthiophene, 2-propyl-4-methylthiazole, 2-ethyl-4-methyl-1H-pyrrole, 2-ethyl-6-methylpyrazine, 2-ethyl-5-methylpyrazine, 4,5-dimethylisothiazole, 4,5-dimethylthiazole, 2,6-diethylpyrazine, 2-ethyl-2,5-dimethylpyrazine, 1-(2-pyridinyl)ethanone, and 1-(1-methyl-1H-pyrrol-2-yl)ethanone were considered to be principal contributors of sesame seed oil flavor.

Journal of Agricultural and Food Chemistry published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C24H29N5O3, SDS of cas: 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Yeo, Helen C. H. published the artcileMicrowave-induced volatiles of the Maillard model system under different pH conditions, Related Products of oxazolidine, the publication is Journal of Agricultural and Food Chemistry (1991), 39(2), 370-3, database is CAplus.

The volatile heterocyclic compounds produced from a D-glucose/L-cysteine browning model system by microwave irradiation were isolated and identified by gas chromatog. and mass spectrometry. Microwave samples were prepared at different pH values. As the pH increased, the total volatiles generated also increased. Twenty-two compounds were identified. The major compounds formed at pH 2, 5, and 7 were furans, pyrroles, and thiophenes. At pH 9, the major compounds formed were oxazoles, pyrazines, thiazoles, pyranones, and furanones. The samples at pH 2, 5, and 7 had a pungent and sulfurous odor, and those at pH 9 had a nutty, meaty, and roasted aroma. 2-Methylthiazolidine was detected for the first time in a sugar/amino acid model system; the mechanism for its formation is proposed to be formation of a hemimercaptal intermediate at different pH values.

Journal of Agricultural and Food Chemistry published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C15H21BO3, Related Products of oxazolidine.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Zhuravleva, I. L. published the artcileSchemes for calculation of alkyloxazole and alkylthiazole retention indexes under capillary chromatography conditions, HPLC of Formula: 20662-83-3, the publication is Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya (1990), 1338-44, database is CAplus.

Gas-chromatog. retention indexes were determined for the title compounds on 3 capillary columns, and the contributions of Me, Et, and Pr groups in different ring positions were calculated The results were used to predict retention indexes for di- and trisubstituted oxazoles and thiazoles.

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C4H11NO, HPLC of Formula: 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Golovnya, R. V. published the artcileUse of the principle of nonadditivity of sorption energies for calculation of retention indexes of alkyloxazoles in capillary chromatography, HPLC of Formula: 20662-83-3, the publication is Zhurnal Analiticheskoi Khimii (1989), 44(11), 2037-42, database is CAplus.

Capillary GC retention indexes were converted to free energies of sorption (ΔG) of variously alkyl-substituted oxazoles. Nonadditive, i.e., portion-dependent alkyl substituent effects on ΔG were observed; thus Me-jump contribution to ΔG, ΔG^Me, increased in the order ΔG^Me(α_N) < ΔG^Me(α_N,O < ΔG^Me(α_O), with locals identified in structure I. Use of nonadditive ΔG^alkyl afforded predictions of GC retentions of alkyloxazoles in good agreement with experiment

Zhurnal Analiticheskoi Khimii published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C5H7NO, HPLC of Formula: 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Wang, T. H. published the artcileAnalysis of trace volatile organic compounds in coffee by headspace concentration and gas chromatography-mass spectrometry, HPLC of Formula: 20662-83-3, the publication is Chromatographia (1983), 17(8), 411-17, database is CAplus.

A exptl. method for the anal. of trace volatile organic compounds was developed and standardized. This new technique involves headspace sampling, heart cutting, collection, and concentration of the volatiles on a porous polymer (Tenax-GC), followed by sensory evaluation and 2-dimensional gas chromatog. with flame ionization and S-sensitive flame photometric detectors and He as carrier gas. Using the modified Purge and Trap Sampler for on-line anal., the loss of organic volatile compounds, which usually occurs during sample transfer, was prevented. A number of aroma-related organic volatile compounds in coffee have been separated and identified by this technique. The method was standardized for the general needs of other related areas of aroma research.

Chromatographia published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C7H13ClNNaO5S, HPLC of Formula: 20662-83-3.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Messias Monteiro, Alex France published the artcileIn Silico Studies for Bacterystic Evaluation against Staphylococcus aureus of 2-Naphthoic Acid Analogues, Recommanded Product: (R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one, the publication is Current Topics in Medicinal Chemistry (Sharjah, United Arab Emirates) (2020), 20(4), 293-304, database is CAplus and MEDLINE.

Staphylococcus aureus is a gram-pos. spherical bacterium commonly present in nasal fossae and in the skin of healthy people; however, in high quantities, it can lead to complications that compromise health. The pathologies involved include simple infections, such as folliculitis, acne, and delay in the process of wound healing, as well as serious infections in the CNS, meninges, lung, heart, and other areas. This research aims to propose a series of mols. derived from 2-naphthoic acid as a bioactive in the fight against S. aureus bacteria through in silico studies using mol. modeling tools. A virtual screening of analogs was done in consideration of the results that showed activity according to the prediction model performed in the KNIME Analytics Platform 3.6, violations of the Lipinski rule, absorption rate, cytotoxicity risks, energy of binder-receptor interaction through mol. docking, and the stability of the best profile ligands in the active site of the proteins used (PDB ID 4DXD and 4WVG). Seven of the 48 analogs analyzed showed promising results for bactericidal action against S. aureus. It is possible to conclude that ten of the 48 compounds derived from 2-naphthoic acid presented activity based on the prediction model generated, of which seven presented no toxicity and up to one violation to the Lipinski rule.

Current Topics in Medicinal Chemistry (Sharjah, United Arab Emirates) published new progress about 1219707-39-7. 1219707-39-7 belongs to oxazolidine, auxiliary class Other Aliphatic Heterocyclic,Oxazolidine,Chiral,Fluoride,Benzene,Amide,Alcohol,Anti-infection, name is (R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one, and the molecular formula is C14H17FN4O3, Recommanded Product: (R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem

Trabue, Steven published the artcileSpeciation of volatile organic compounds from poultry production, Formula: C5H7NO, the publication is Atmospheric Environment (2010), 44(29), 3538-3546, database is CAplus.

Volatile organic compounds (VOCs) emitted from poultry production are leading source of air quality problems. However, little is known about the speciation and levels of VOCs from poultry production The objective of this study was the speciation of VOCs from a poultry facility using evacuated canisters and sorbent tubes. Samples were taken during active poultry production cycle and between production cycles. Levels of VOCs were highest in areas with birds and the compounds in those areas had a higher percentage of polar compounds (89%) compared to aliphatic hydrocarbons (2.2%). In areas without birds, levels of VOCs were 1/3 those with birds present and compounds had a higher total percentage of aliphatic hydrocarbons (25%). Of the VOCs quantified in this study, no single sampling method was capable of quantifying more than 55% of compounds and in several sections of the building each sampling method quantified less than 50% of the quantifiable VOCs. Key classes of chems. quantified using evacuated canisters included both alcs. and ketones, while sorbent tube samples included volatile fatty acids and ketones. The top five compounds made up close to 70% of VOCs and included. 1; acetic acid (830.1 μg m^-3), 2; 2,3-butanedione (680.6 μg m^-3). 3; methanol (195.8 μg m^-3). 4; acetone (104.6 μg m^-3), and 5; ethanol (101.9 μg m^-3). Location variations for top five compounds averaged 49.5% in each section of the building and averaged 87% for the entire building.

Atmospheric Environment published new progress about 20662-83-3. 20662-83-3 belongs to oxazolidine, auxiliary class Oxazole, name is 4,5-Dimethyloxazole, and the molecular formula is C15H14O3, Formula: C5H7NO.

Referemce:
https://en.wikipedia.org/wiki/Oxazolidine,
Oxazolidine | C3H7NO – PubChem