Month: November 2022

Lakshmi, Neelakandan Vidhya published the artcileNew pathway to pyrrolidinones and pyrrolizidinones using aryl aldehydes, 3-phenyl-5-isoxazolone and secondary amino acids, Synthetic Route of 1076-59-1, the publication is Tetrahedron Letters (2013), 54(14), 1817-1820, database is CAplus.

A novel and efficient approach to pyrrolidinones and pyrrolizidinones via a one-pot multicomponent reaction of aryl aldehydes, 3-phenyl-5-isoxazolone, sarcosine and L-proline, resp. in methanol under reflux condition is reported.

Tetrahedron Letters published new progress about 1076-59-1. 1076-59-1 belongs to isoxazole, auxiliary class Oxazoline,Benzene,Ester, name is 3-Phenylisoxazol-5(2H)-one, and the molecular formula is C9H7NO2, Synthetic Route of 1076-59-1.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Kiruthika, Selvarangam E. published the artcileAn easy protocol for the domino synthesis of diversely functionalized spirocarbocycles and their biological evaluation, Recommanded Product: 3-Phenylisoxazol-5(2H)-one, the publication is Journal of Chemical Sciences (Bangalore, India) (2014), 126(1), 177-185, database is CAplus.

A base-catalyzed domino reaction for the synthesis of spirocarbocycles I [R = 4-CH₃C₆H₄, 4-ClC₆H₄, naphth-1-yl, etc.; n = 13̃] in excellent yields using in situ generated chalcones and alkylidene malononitriles [alkyl = cyclohexyl, cyclopentyl, cycloheptyl, etc.] was reported. The key steps include Knoevenagel condensation followed by intermol. vinylogous Michael addition and intramol. cyclization. The synthesized compounds were evaluated for their antimicrobial activity and the compounds exhibited moderate to excellent activities.

Journal of Chemical Sciences (Bangalore, India) published new progress about 1076-59-1. 1076-59-1 belongs to isoxazole, auxiliary class Oxazoline,Benzene,Ester, name is 3-Phenylisoxazol-5(2H)-one, and the molecular formula is C9H7NO2, Recommanded Product: 3-Phenylisoxazol-5(2H)-one.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Jin, Yuan published the artcileInfluence of parecoxib sodium infusion on postoperative agitation, stress reaction and vital signs of patients with laparoscopic surgery under combined anesthesia of propofol and remifentanil, Computed Properties of 198470-85-8, the publication is Zhongguo Xiandai Yixue Zazhi (2015), 25(8), 55-58, database is CAplus.

The purpose of the research is to investigate the influence of parecoxib sodium infusion before anesthesia induction on postoperative agitation, stress reaction and vital signs of the patients with laparoscopic surgery under combined anesthesia of propofol and remifentanil. A total of 120 cases of patients with laparoscopic surgery and general anesthesia in the Department of Gynaecol. were chosen and randomly divided into two groups including control group(60 cases of patients) with saline infusion and parecoxib sodium group(60 cases of patients) with parecoxib sodium infusion before anesthesia induction. The postoperative agitation grading, chills Wrench grading of and levels of vital sign indexes at different time points of both groups were compared. The postoperative agitation grading, chills Wrench grading of the parecoxib sodium group were significant better than those in the control group(P<0.05). The levels of E, NE and Cor at time points of extubation in the parecoxib sodium group were significant lower than those in the control group(P<0.05). The levels of vital sign indexes in the parecoxib sodium group were significantly lower than those in the control group at the time points of T₀, T₁, T₂ and T₃(P<0.05). There were no significant differences in the levels of vital sign indexes between both groups at the time point of T4(P>0.05). Parecoxib sodium infusion on patients with laparoscopic surgery under combined anesthesia of propofol and remifentanil can efficiently relieve postoperative agitation, reduce the level of stress response and maintain stable vital signs.

Zhongguo Xiandai Yixue Zazhi published new progress about 198470-85-8. 198470-85-8 belongs to isoxazole, auxiliary class Immunology/Inflammation,COX, name is Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, and the molecular formula is C19H17N2NaO4S, Computed Properties of 198470-85-8.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Yngve, Ulrika published the artcileTriazolopyrimidinones as γ-secretase modulators: structure-activity relationship, modulator profile, and in vivo profiling, Synthetic Route of 874-36-2, the publication is MedChemComm (2013), 4(2), 422-431, database is CAplus.

The structure-activity relationship for a series of potent γ-secretase modulators based on the 6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one scaffold is described. Furthermore, we report details regarding the modulator profile on Aβ processing, as well as in vivo efficacy, for the optimized compounds

MedChemComm published new progress about 874-36-2. 874-36-2 belongs to isoxazole, auxiliary class Other Aromatic Heterocyclic,Amine, name is Benzo[c][1,2,5]oxadiazol-5-amine, and the molecular formula is C6H17NO3Si, Synthetic Route of 874-36-2.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Dawange, Monali published the artcileA synthetic route towards 3,4-disubstituted pyrrolidin-2-ones via a Michael addition and reductive ring closing strategy, Safety of 3-Phenylisoxazol-5(2H)-one, the publication is New Journal of Chemistry (2017), 41(9), 3612-3618, database is CAplus.

Pyrrolidin-2-one derivatives were synthesized via DABCO mediated Michael addition of isoxazol-5(4H)-ones with nitroalkenes, followed by one pot reduction of the nitro group and ring cleavage with cyclization. 2-Pyrrolidinone scaffolds with a wide range of substituents were synthesized with good yield and diastereoselectivity by using this protocol.

New Journal of Chemistry published new progress about 1076-59-1. 1076-59-1 belongs to isoxazole, auxiliary class Oxazoline,Benzene,Ester, name is 3-Phenylisoxazol-5(2H)-one, and the molecular formula is C9H7NO2, Safety of 3-Phenylisoxazol-5(2H)-one.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Yapuri, Umanadh published the artcileLigand-free nano copper oxide catalyzed cyanation of aryl halides and sequential one-pot synthesis of 5-substituted-1H-tetrazoles, Related Products of isoxazole, the publication is Tetrahedron Letters (2013), 54(35), 4732-4734, database is CAplus.

An expedient and sequential one-pot synthesis of 5-substituted-1H-tetrazoles via [2+3] cycloaddition of aryl nitriles with sodium azide is reported. The required aryl nitriles were synthesized via the nano-copper oxide promoted cyanation of aryl iodides generated in situ.

Tetrahedron Letters published new progress about 2251-79-8. 2251-79-8 belongs to isoxazole, auxiliary class Trifluoromethyl,Fluoride,Benzene, name is 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, and the molecular formula is C13H16O2, Related Products of isoxazole.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Osyanin, Vitaly A. published the artcileAlkylation of 5-aryltetrazoles with 2- and 4-hydroxybenzyl alcohols, Formula: C8H5F3N4, the publication is Chemistry of Heterocyclic Compounds (New York, NY, United States) (2015), 51(11-12), 984-990, database is CAplus.

The reaction of salicylic alc. with 5-aryltetrazoles gave mixtures of 2-[(5-aryl-1H-tetrazol-1-yl)methyl]- and 2-[(5-aryl-2H-tetrazol-2-yl)methyl]phenols. In the case of other ortho- and para-hydroxybenzyl alcs., 2,5-disubstituted products were formed selectively. The criteria for detecting 1,5- and 2,5-disubstituted N-benzyltetrazoles by standard 1H and 13C NMR spectroscopy have been identified.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about 2251-79-8. 2251-79-8 belongs to isoxazole, auxiliary class Trifluoromethyl,Fluoride,Benzene, name is 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, and the molecular formula is C8H5F3N4, Formula: C8H5F3N4.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Katane, Masumi published the artcileIdentification of Novel d-Amino Acid Oxidase Inhibitors by in Silico Screening and Their Functional Characterization in Vitro, Computed Properties of 2251-79-8, the publication is Journal of Medicinal Chemistry (2013), 56(5), 1894-1907, database is CAplus and MEDLINE.

D-Amino acid oxidase (DAO) is a degradative enzyme that is stereospecific for d-amino acids, including d-serine and d-alanine, which are potential coagonists of the N-methyl-d-aspartate (NMDA) receptor. Dysfunction of NMDA receptor-mediated neurotransmission has been implicated in the onset of various mental disorders such as schizophrenia. Hence, a DAO inhibitor that augments the brain levels of d-serine and/or d-alanine and thereby activates NMDA receptor function is expected to be an antipsychotic drug, for instance, in the treatment of schizophrenia. In the search for potent DAO inhibitor(s), a large number of compounds were screened in silico, and several compounds were estimated as candidates. These compounds were then characterized and evaluated as novel DAO inhibitors in vitro. The results reported in this study indicate that some of these compounds are possible lead compounds for the development of a clin. useful DAO inhibitor and have the potential to serve as active site probes to elucidate the structure-function relationships of DAO.

Journal of Medicinal Chemistry published new progress about 2251-79-8. 2251-79-8 belongs to isoxazole, auxiliary class Trifluoromethyl,Fluoride,Benzene, name is 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, and the molecular formula is C8H5F3N4, Computed Properties of 2251-79-8.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Pradhan, Ujal published the artcileRisk predictive tools of perioperative drug hypersensitivity reaction: A case-control study, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, the publication is PLoS One (2022), 17(1), e0262362, database is CAplus and MEDLINE.

We aimed to determine the risk factors of perioperative drug hypersensitivity reaction (DHR) and develop a predictive score for use in clin. practice. A case-control study was conducted in patients who underwent anesthesia at a tertiary hospital in Thailand, between 2015-2018. DHR cases were graded clin. from 1 to 4 according to the World Federation of Societies of Anesthesiologists by two anesthesiologists. Controls were randomly matched with cases (ratio 2:1) by age group and month and type of surgery. Patient and anesthesia-related factors and agents given intraoperatively were recorded. A risk score was derived from the coefficients of the significant predictors of the final multivariate logistic regression model. Risk scores, adjusted odds ratios (OR) for perioperative DHR and 95% confidence intervals (CI) were determined Overall, 325 cases and 650 controls were recruited. The severity of DHR was grade 1 (72.9%), grade 2 (24%), and grade 3 (3.1%). Our risk predictive tools for perioperative DHR provided a sensitivity of 62% and specificity of 65%. Predictive scores of subgroups of moderate to severe DHR showed high specificity (80%) but low sensitivity (47%). Common predictors of overall DHR and moderate to severe DHR were history of drug allergy to 2 or more drug categories (score 2.5-3.5), being allergic to analgesics (score 2.5-4.0), and intraoperative morphine use (score of 1). The sole predictor of high-risk perioperative DHR (score ≥3.5) was airway management with an endotracheal tube intubation (OR 5.6, 95% CI 2.2-14.4) whereas history of allergic rhinitis (OR 11.7, 95% CI 1.3-105.1) was a predictor of high-risk moderate to severe DHR (score ≥2.5). Our predictive tool for perioperative DHR provided a modest predictive ability. History of drug allergies, rhinitis, morphine use and endotracheal intubation were significant risk factors of DHR after adjusting for age and type of surgery.

PLoS One published new progress about 198470-85-8. 198470-85-8 belongs to isoxazole, auxiliary class Immunology/Inflammation,COX, name is Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, and the molecular formula is C19H17N2NaO4S, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem

Tsuji, Toshiyuki published the artcileTheoretical study on the excited states of heteroarene chromophores: Comparison of calculated and experimental values, HPLC of Formula: 874-36-2, the publication is Chemical Physics Letters (2009), 473(1-3), 196-200, database is CAplus.

We compare the absorption/emission energies of three heteroaromatic chromophores, indoles, benzofurazans and coumarins, both exptl. and theor. First we used TDDFT and SAC-CI methods to calculate S₀ → S₁ vertical excitation energies corresponding to the absorptions. The excitation energies obtained by the SAC-CI method were superior to those obtained by the TDDFT method, as well as being consistent with those exptl. obtained. We thus applied the SAC-CI method to estimate the emission energies of these chromophores on the basis of the CIS- or TDDFT-optimized excited-state structures. We found a good and consistent agreement of the CIS-structure-based values with the exptl. values, whereas the TDDFT-structure based values showed less good agreement.

Chemical Physics Letters published new progress about 874-36-2. 874-36-2 belongs to isoxazole, auxiliary class Other Aromatic Heterocyclic,Amine, name is Benzo[c][1,2,5]oxadiazol-5-amine, and the molecular formula is C17H14F3N3O2S, HPLC of Formula: 874-36-2.

Referemce:
https://en.wikipedia.org/wiki/Isoxazole,
Isoxazole | C3H3NO – PubChem