Month: December 2022

Liu, Haidong published the artcileα-Iminyl Cation-Involved Indole Construction via Bronsted Acid Promoted Reaction of Isoxazol-5-ones, Application of 3-Phenylisoxazol-5(2H)-one, the publication is Journal of Organic Chemistry (2022), 87(16), 11226-11230, database is CAplus and MEDLINE.

Herein, a strategically novel method for the efficient construction of indole skeletons I (R¹ = Ph, furan-2-yl, cyclohexyl, etc.; R² = H, Me, C(O)OH; R¹R² = -((CH₂)₄)-; R³ = 5-Me, 7-Cl, 4-Br, etc.) using 2-phenylisoxazol-5-ones as the starting material was reported. This reaction proceeds via Bronsted acid promoted α-iminyl cation generation by N-O bond cleavage and a subsequent intramol. cyclization to obtain 1H-indole-3-carboxylic acids, which further undergoes decarboxylation to afford the final product. Control experiments show that the N-O bond cleavage and intramol. cyclization proceeds so fast that the 1H-indole-3-carboxylic acids, could be isolated in high yields even after 5-10 min. The substrate scope of this transformation is broad and the desired products are obtained in moderate to good yields. The transition-metal-free reaction condition, CO₂ as the sole byproduct, and good practicability adds synthetic potential of this transformation in pharmaceuticals and flavors industry.

Journal of Organic 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, Application of 3-Phenylisoxazol-5(2H)-one.

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

Yang, Shuyi published the artcileParecoxib shortens the duration of acute postoperative pain after laparoscopic-assisted vaginal hysterectomy, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, the publication is Frontiers in Pharmacology (2019), 689, database is CAplus and MEDLINE.

The effect of parecoxib sodium on the duration and severity of acute postoperative pain after laparoscopic-assisted vaginal hysterectomy has been inadequately studied. This randomized, controlled trial compared the effects of parecoxib, methylprednisolone, and placebo on the duration of acute postoperative pain after elective laparoscopicassisted vaginal hysterectomy. Ninety-four eligible patients were randomized to three groups [parecoxib sodium 40 mg (Group P), methylprednisolone 1 mg/kg (Group M), and saline (Group S)]. The duration of pain during coughing [median (interquartile range)] was significantly lower in Group P than in Group M or Group S [26.0 (5.8-48.0) vs. 48.0 (30.0-55.5) vs. 48.0 (36.0-58.5) h; p = 0.025]. The duration of pain during rest was also significantly lower in Group P than in Group M or Group S [5.5 (3.8-21.0) vs. 24.0 (6.0- 28.0) vs. 22.0 (5.8-36.0) h; p = 0.009]. Compared with those in Group M and Group S, the patients in Group P reported less intense visceral pain during coughing at 12 ( p = 0.050) and 24 h ( p = 0.009) as well as at rest at 12 h ( p = 0.008). Compared with those in Group P and Group S, the patients in Group M showed lower serum C-reactive protein levels and higher blood glucose levels after surgery. No differences were noted in nausea, vomiting, length of hospital stay, wound infection, and delayed wound healing among the groups. Thus, parecoxib sodium reduces the duration and intensity of acute postoperative pain after laparoscopic-assisted vaginal hysterectomy.

Frontiers in Pharmacology 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 C12H16N2O2, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide.

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

Bi, Yan published the artcileAnalysis of influence of parecoxib sodium on recovery period after laparoscopic cholecystectomy under fast track anesthesia with remifentanil later, HPLC of Formula: 198470-85-8, the publication is Yixue Zongshu (2015), 21(10), 1890-1892, database is CAplus.

Objective To observe the influence of parecoxib sodium on the recovery period after laparoscopic cholecystectomy (LC) under fast track anesthesia with remifentanil. Methods A total of 114 cases of gallstone admitted in Shaoguan First People’s Hospital from Mar. 2013 to Feb. 2014 were divided into the control group (56 cases) and observation group (58 cases) by random number table method. Patients in both groups received LC treatment under fast track anesthesia with remifentanil, patients in the observation group received injection of 5 mL saline and parecoxib sodium mixture 20 min before anesthesia, while patients in the control group received injection of 5 mL saline. The awake and extubation time of the two groups was recorded, while changes of mean pulsating pressure (MAP), pulse oxygen saturation (SpO₂), heart rate and other indicators of recovery period were observed at the time points of 5 min before extubation (T₁), extubation time (T₂), 5 min after extubation (T₃) and 15 min after extubation (T₄), besides, Ramsay sedation and VAS pain scores were recorded, incidences of restlessness, arrhythmia and other adverse reactions were observed Results MAP, heart rate of the observation group only fluctuated at T₂, then leveled off; MAP, heart rate of the control group significantly fluctuated after T1, there was statistically significant difference between the two groups (P<0.05). Postoperative agitation score and VAS pain score of the observation group were (1.8±0.9) scores and (2.3±1.2) scores, significantly lower than those of the control group (3.4±1.0) scores and (4.2±1.3) scores], while Ramsay sedation score was higher than the control group [(3.5±1.1) scores vs (1.7±0.8) scores], the difference was statistically significant (P<0.01). The incidence of agitation of the observation group was lower than the control group [10.3% (6/58) vs 30.4% (17/56)], the difference was statistically significant (P<0.01). Conclusion Application of parecoxib sodium to induce the fast track anesthesia with remifentanil before LC can stable the hemodynamics, reduce postoperative pain and stress response, with fewer adverse reactions, therefore, it is worth for clin. promotion.

Yixue Zongshu 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, HPLC of Formula: 198470-85-8.

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

Qin, Zijian published the artcileClassification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest Methods, Synthetic Route of 198470-85-8, the publication is Journal of Chemical Information and Modeling (2019), 59(5), 1988-2008, database is CAplus and MEDLINE.

This work reports the classification study conducted on the biggest COX-2 inhibitor data set so far. Using 2925 diverse COX-2 inhibitors collected from 168 pieces of literature, we applied machine learning methods, support vector machine (SVM) and random forest (RF), to develop 12 classification models. The best SVM and RF models resulted in MCC values of 0.73 and 0.72, resp. The 2925 COX-2 inhibitors were reduced to a data set of 1630 mols. by removing intermediately active inhibitors, and 12 new classification models were constructed, yielding MCC values above 0.72. The best MCC value of the external test set was predicted to be 0.68 by the RF model using ECFP_4 fingerprints. Moreover, the 2925 COX-2 inhibitors were clustered into eight subsets, and the structural features of each subset were investigated. We identified substructures important for activity including halogen, carboxyl, sulfonamide, and methanesulfonyl groups, as well as the aromatic nitrogen atoms. The models developed in this study could serve as useful tools for compound screening prior to laboratory tests.

Journal of Chemical Information and Modeling 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, Synthetic Route of 198470-85-8.

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

Niu, Qingqing published the artcileIsatins 3-C annulation vs ring-opening: Two different pathways for synthesis of spiro compounds via multicomponent reactions, Application In Synthesis of 1076-59-1, the publication is Tetrahedron Letters (2019), 60(43), 151181, database is CAplus.

An efficient synthesis of spiro compounds I (R¹ = 5-CH₃, 7-Br, 6-Cl, etc.; R² = H, Me; R³ = H, Ph), II [R³ = 7-CF₃, 5,7-(Me)₂, 7-I, etc.; R⁴ = H, Me], III and IV (R³ = H) via two different pathways from the reactions of isatins, 3-phenylisoxazol-5(4H)-one, (3-ethylisoxazol-5(4H)-one) and pyrazol-5-amine, (6-aminopyrimidine-2,4(1H,3H)-dione) was reported. The catalyst Amberlyst-15 could be easy recycled and reused for many time without any appreciable loss in catalytic activity. The new type spiro compounds were gained through the ring-opening of isatins process. The structures of spiro[indoline-3,4′-isoxazolo[5,4-b]pyrazolo[4,3-e]pyridin]-2-one, spiro[isoxazolo[5,4-b]quinoline-4,5′-pyrrolo[2,3-d]pyrimidine]-2′,4′,6′(1’H,3’H,7’H)-trione and spiro[indoline-3,4′-pyrazolo[3,4-b]pyridine]-2,6′(5’H)-dione were successfully confirmed by ¹H NMR, ¹³C NMR, HRMS, and X-ray crystal diffraction anal.

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, Application In Synthesis of 1076-59-1.

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