Month: November 2022

Feinn, Liana published the artcileAntimicrobial Evaluation of 5-Substituted Aryl 1H-Tetrazoles, COA of Formula: C8H5F3N4, the publication is Medicinal Chemistry (Sharjah, United Arab Emirates) (2017), 13(4), 359-364, database is CAplus.

Tetrazole derivatives such as 1-substituted dinitrobenzyl tetrazoles and their oxa and selanyl analogs have previously been studied against drug-susceptible and multidrug-resistant mycobacteria. In addition, other tetrazole derivatives have been shown to inhibit CTX-M class A β-lactamases. We studied the antibacterial activity of 5-substituted aryl 1H-tetrazole derivatives The antibacterial activity of several known 5-substituted aryl 1H-tetrazole derivatives was evaluated against Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. The activity was assessed by determining the min. inhibitory concentration of these tetrazole derivatives and comparing them to the known antibiotics amoxicillin, trimethoprim, and sulfamethoxazole. Some derivatives showed significant antibacterial activity with the most active derivatives exhibiting a min. inhibitory concentration (MIC) of 125-250 μg/mL against S. aureus and E. coli. Using some of these tetrazole compounds in combination with trimethoprim led to a synergistic effect that gave MIC values ranging from 0.24-1.95 μg/mL against E. coli and 3.91-31.3 μg/mL against S. aureus. The tetrazole derivatives were prepared in an isopropanol/water mixture using microwave heating at 160° for 1 h. The cycloaddition between organonitriles and sodium azide was catalyzed by indium chloride. This study shows a significant synergistic effect between the tetrazole compounds tested and trimethoprim which could be used to potentially develop new antibacterial agents.

Medicinal Chemistry (Sharjah, United Arab Emirates) 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, COA of Formula: C8H5F3N4.

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

Konkala, Veera Swamy published the artcileOne-pot Synthesis of 3-phenyl-4-pyrazolylmethylene-isoxazol-(5H)-ones Catalyzed by Sodium Benzoate in Aqueous Media under the Influence of Ultrasound Waves: A Green Chemistry Approach, Quality Control of 1076-59-1, the publication is Journal of Heterocyclic Chemistry (2017), 54(4), 2483-2492, database is CAplus.

A series of 4-pyrazolylmethylene-3-phenylisoxazol-5(4H)-ones have been prepared from Knoevenagel condensation of pyrazole-4-carbaxaldehyde with isoxazolone precursors (e.g., 1,3-diphenylpyrazole-4-carboxaldehyde + isoxazolone I â†?II) or via one-pot three-component cyclocondensation of pyrazole-4-carbaxaldehyde with β-ketoesters and hydroxylamine hydrochloride (e.g., 1,3-diphenylpyrazole-4-carboxaldehyde + Et benzoylacetate + hydroxylamine hydrochloride â†?II) in the presence of sodium benzoate in water under the influence of ultrasonic waves. The merits of this method are efficient, clean, green, easy work-up, high yields, and shorter reaction time, and the catalyst could be recycled easily without affecting the catalytic activity.

Journal of Heterocyclic 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, Quality Control of 1076-59-1.

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

Stivanin, Mateus L. published the artcileAn Aminocatalyzed Michael Addition/Iron-Mediated Decarboxylative Cyclization Sequence for the Preparation of 2,3,4,6-Tetrasubstituted Pyridines: Scope and Mechanistic Insights, Synthetic Route of 1076-59-1, the publication is Journal of Organic Chemistry (2017), 82(19), 10319-10330, database is CAplus and MEDLINE.

A novel, scalable strategy for the preparation of 2,3,4,6-tetrasubstituted pyridines, e.g., I (X-rays single crystal structure shown), is described. This protocol has two steps: an aminocatalyzed addition of ketones to alkylidene isoxazol-5-ones, followed by an iron-mediated decarboxylative cyclization event. Mechanistic insights for both steps are provided based on HRMS-ESI(+) studies.

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 C8H14O4, Synthetic Route of 1076-59-1.

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

Zhang, Wei published the artcileEffect of parecoxib sodium on anesthesia effect by propofol combined with fentanyl and postoperative recovery in elderly patients with laparoscopic surgery, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, the publication is Hainan Yixueyuan Xuebao (2016), 22(12), 1279-1282, database is CAplus.

Objective: To study the effect of parecoxib sodium on anesthesia effect by propofol combined with fentanyl and postoperative recovery in elderly patients with laparoscopic surgery. Methods: A total of 80 elderly patients who received laparoscopic surgery in our hospital from May 2013 to Dec. 2015 were selected for study and randomly divided into observation group who received parecoxib sodium + propofol combined with fentanyl anesthesia and control group who received propofol combined with fentanyl anesthesia, and then pain threshold and serum indicators of two groups were compared. Results: 2h, 4h, 6h, 8h, 10 hand 12hafter surgery, pain threshold EI50 of observation group was significantly higher than that of control group; serum Glu, PS, histamine, 5-HT, MCP-1, CCR2, JAK2, STAT3, p38 MAPK, PX1, Orexin, IRAK1, TRAF6 and FcγRI contents of observation group were significantly lower than those of control group; serum GABA andβ-EP contents of observation group were significantly higher than those of control group. Conclusions: Parecoxib sodium has inhibiting effect on the pain perception of propofol combined with fentanyl anesthesia for elderly patients with laparoscopic surgery and can reduce the synthesis of pain neurotransmitters, inflammatory factors and related mols.

Hainan Yixueyuan Xuebao 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 C12H19BrS, Recommanded Product: Sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide.

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

Galievsky, Victor A. published the artcileUltrafast intramolecular charge transfer with N-(4-Cyanophenyl)carbazole. Evidence for a LE precursor and dual LE + ICT fluorescence, COA of Formula: C18H12FN, the publication is Journal of Physical Chemistry A (2010), 114(48), 12622-12638, database is CAplus and MEDLINE.

The photophysics of N-(4-cyanophenyl)carbazole (NP4CN) was investigated by using absorption and fluorescence spectra, picosecond fluorescence decays, and femtosecond transient absorption. In the nonpolar n-hexane as well as in the polar solvent acetonitrile (MeCN), a locally excited (LE) state is detected, as a precursor for the intramol. charge transfer (ICT) state. A LE â†?ICT reaction time τ₂ at 22 °C of 0.95 ps in Et cyanide (EtCN) and 0.32 ps in MeCN is determined from the decay of the LE excited state absorption (ESA) maximum around 620 nm. In the ESA spectrum of NP4CN in n-hexane at a pump-probe delay time of 100 ps, an important contribution of the LE band remains alongside the ICT band, in contrast to what is observed in EtCN and MeCN. This shows that a LE â‡?ICT equilibrium is established in this solvent and the ICT reaction time of 0.5 ps is equal to the reciprocal of the sum of the forward and backward ICT rate constants 1/(k_a + k_d). In the photostationary S₀ â†?S_n absorption spectrum of NP4CN in n-hexane and MeCN, an addnl. CT absorption band appears, absent in the sum of the spectra of its electron donor (D) and acceptor (A) subgroups carbazole and benzonitrile. This CT band is located at an energy of âˆ?000 cm^-1 lower than for N-phenylcarbazole (NPC), due to the larger electron affinity of the benzonitrile moiety of NP4CN than the Ph subunit of NPC. The fluorescence spectrum of NP4CN in n-hexane at 25 °C mainly consists of a structured LE emission, with a small ICT admixture, indicating that a LE â†?ICT reaction just starts to occur under these conditions. In di-n-pentyl ether (DPeE) and di-Bu ether (DBE), a LE emission is found upon cooling at the high-energy edge of the ICT fluorescence band, caused by the onset of dielec. solvent relaxation. This is not the case in more polar solvents, such as di-Et ether (DEE) and MeCN, in which a structureless ICT emission band fully overlaps the strongly quenched LE fluorescence. For the series of D/A mols. NPC, N-(4-fluorophenyl)carbazole (NP4F), N-[4-(trifluoromethyl)phenyl]carbazole (NP4CF), and NP4CN, with increasing electron affinity of their Ph subgroup, an ICT emission in n-hexane 25°C only is present for NP4CN, whereas in MeCN an ICT fluorescence is observed with NP4CF and NP4CN. The ICT fluorescence appears when for the energies E(ICT) of the ICT state and E(S₁) of the lowest excited singlet state the condition E(ICT) â‰?E(S₁) holds. E(ICT) is calculated from the difference E(D/D⁺) – E(A^–/A) of the redox potentials of the D and A subgroups of the N-phenylcarbazoles. From solvatochromic measurements with NP4CN an ICT dipole moment μ_e(ICT) = 19 D is obtained, somewhat larger than the literature values of 10-16 D, because of a different Onsager radius ρ. The carbazole/phenyl twist angle θ = 45° of NP4CN in the S₀ ground state, determined from X-ray crystal anal., has become smaller for its ICT state, in analogy with similar conclusions for related N-phenylcarbazoles and other D/A mols. in the literature.

Journal of Physical Chemistry A published new progress about 57103-14-7. 57103-14-7 belongs to isoxazole, auxiliary class Fused Tricycles,Carbazoles, name is 9-(4-Fluorophenyl)-9H-carbazole, and the molecular formula is C18H12FN, COA of Formula: C18H12FN.

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

De Castro, Pedro P. published the artcileQuantum Chemical-Guided Steglich Rearrangement of Azlactones and Isoxazolones, Application of 3-Phenylisoxazol-5(2H)-one, the publication is Journal of Organic Chemistry (2019), 84(19), 12573-12582, database is CAplus and MEDLINE.

The theor.-guided evaluation of the Steglich rearrangement of azlactones and isoxazolones allowed the determination of the reactivity patterns in these heterocycles, including the factors that drive the regioselectivity toward both possible sites. These results allowed the first exptl. report on the regioselective Steglich rearrangement of isoxazolones, affording the nitrogen- or carbon-acyloxy adducts.

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

Qiu, Shuang published the artcileEffect of preemptive analgesia with parecoxib sodium combined with sufentanil postoperative analgesia on early cognitive function in elderly patients after operation, Application In Synthesis of 198470-85-8, the publication is Shiyong Yaowu Yu Linchuang (2016), 19(4), 425-429, database is CAplus.

To investigate the effect of preemptive analgesia with parecoxib sodium combined with sufentanil analgesia on postoperative cognitive function in elderly patients undergoing thoracic surgery. Sixty ASA I-II patients aged 65-75 years undergoing lung resection were randomly divided into two groups: parecoxib group (n = 30) and control group (n = 30). Parecoxib sodium (40 mg) + normal saline (5 mL) was injected i.v. after anesthesia induction in parecoxib group. Same volume saline was injected i.v. after anesthesia induction in control group. Patient-controlled i.v. analgesia with sufentanil 2 μg/kg and ramosetron hydrochloride 0.6 mg was used. At 2 h, 12 h and 24 h after operation, the pain score was evaluated by VAS score which should be less than 3. If VAS score was greater than 3, a bolus of PCIA was allowed until the analgesia was relieved. Cognitive function was assessed by Mini-Mental state examination (MMSE) at 1 d before operation and 2 h, 12 h and 24 h after operation. The total amount of sufentanil was recorded. Compared with control group, the incidence of postoperative cognitive dysfunction in parecoxib group was lower (P < 0.05), and the MMSE scores at 2 h, 12 h and 24 h after operation decreased more significantly (P < 0.05). The PCIA number of patients after compression in parecoxib group was less than that of control group with lower total amount of sufentanil and VAS score at 2 h, 12 h and 24 h after operation (P < 0.05). The incidence of adverse reaction (such as respiratory depression, nausea and vomiting) in parecoxib group was lower than that of control group (P < 0.05). Parecoxib sodium preemptive analgesia combined with sufentanil postoperative analgesia can effectively relieve the postoperative pain of elderly patients undergoing lung resection. Parecoxib sodium preemptive analgesia can reduce the risk of early period POCD and postoperative sufentanil consumption, and decrease the incidence of adverse reaction.

Shiyong Yaowu Yu Linchuang 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, Application In Synthesis of 198470-85-8.

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

Aleshunin, P. A. published the artcileVinyltetrazoles: II. Synthesis of 5-substituted 1(2)-vinyltetrazoles, Product Details of C8H5F3N4, the publication is Russian Journal of Organic Chemistry (2011), 47(12), 1882-1888, database is CAplus.

5-Substituted 1(2)-vinyltetrazoles (R = aryl, alkyl, vinyl, NH₂, H) were synthesized by alkylation of appropriate tetrazoles with Br(CH₂)₂Br in the presence of Et₃N in MeCN, followed by elimination of Et₃N.HBr. Vinylation of dinuclear substrates, such as bis(1H-tetrazol-5-yl)methane and 1,3-bis(1H-tetrazol-5-yl)benzene, under analogous conditions gave the corresponding N(1),N(2′)- and N(2),N(2′)-divinyl derivatives

Russian Journal of Organic 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, Product Details of C8H5F3N4.

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

Deng, Fen published the artcileApplication effect of parecoxib sodium on postoperative analgesia in patients with craniotomy, SDS of cas: 198470-85-8, the publication is Liaoning Yixueyuan Xuebao (2016), 37(4), 61-64, database is CAplus.

Objective: To explore the application effect of parecoxib sodium on postoperative analgesia in patients with craniotomy. Methods: 90 cases of patients who underwent craniotomy in the neurosurgery department of our hospital from Feb. 2014 to Jan. 2015 were selected and randomly divided into the control group and the observation group, with 45 patients in each group. The patients in the observation group were treated with i.v. injection of parecoxib sodium, while the patients in the control group were given the equal amount of normal saline. The heart rate (HR), respiratory frequency (RR) and mean arterial pressure (MAP) in two groups were monitored by professional medical staff before the operation and 1, 6, 12, 24 h after the operation, and the VAS score, the restless score (RS score) and the sedation score (Ramsay score) in two groups were investigated 1, 6, 12 and 24 h after operation. The complications of all patients, 24 h after operation, were statistically analyzed. Results: The levels of HR and MAP in the two groups 1h and 6h after operation were significantly higher than those before operation, while the levels of HR and MAP in the observation group 1h and 6h after operation were significantly lower than those in the control group. The differences were statistically significant (P<0.05). The levels of HR and MAP in the two groups 12 h and 24 h after operation were not significantly different from those before operation (P>0.05). In addition, the level of RR in the two groups 1, 6, 12 and 24 h after operation was not significantly different from that before operation (P>0.05). The VAS and RS scores in the observation group were significantly lower than those in the control group 1, 6, 12 and 24 h after operation, whereas the Ramsay score was significantly higher than that in the control group. The differences were statistically significant (P<0.05). There were no significant differences in the VAS, RS and Ramsay scores in the two groups at each time point after operation (P>0.05). The incidence of complications in the observation group was significantly lower than that in the control group (χ²=1.984, P<0.05). Conclusion: Parecoxib sodium has analgesic and sedative effect on patients after craniotomy, which can improve the postoperative vital signs and reduce the incidence of complications of patients.

Liaoning Yixueyuan Xuebao 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, SDS of cas: 198470-85-8.

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

Liu, Guijun published the artcileSynthesis of 3-[4-(2-pyridinyl)phenyl]-9-(4-fluorophenyl)-9H-carbazole, Category: isoxazole, the publication is Jingxi Huagong (2010), 27(4), 327-330, 386, database is CAplus.

A phosphorescent ligand was designed and the synthesis of the target compound was achieved by a sequence involving a Gomberg-Bachmann reaction (phenylation) and Suzuki coupling and the product thus obtained (82.03% yield) was confirmed by ¹H-NMR, elemental anal., UV-vis absorption and PL emission spectra. The spectral anal. data indicated that the max absorbance displayed a red shift of 56 nm and a Stokes shift of 154 nm.

Jingxi Huagong published new progress about 57103-14-7. 57103-14-7 belongs to isoxazole, auxiliary class Fused Tricycles,Carbazoles, name is 9-(4-Fluorophenyl)-9H-carbazole, and the molecular formula is C18H12FN, Category: isoxazole.

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