CRYSTENGCOMM
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2023
·Vol. 25
·期 8
·1313-1318
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IF 3.1
Ying Yang,Jianjuan Zhao,Xinyuan Zhang,Zhanggui Hu,Yicheng Wu
A new 3-(4-methoxy)phenyl-5-isoxazolone-based crystal MPMOI (C18H15NO4) was designed and synthesized by the substitution of –OCH3 groups on two sides of the molecular framework. Striped yellow MPMOI crystals were successfully grown by slow evaporation from chloroform solution. Due to the introduction of the –OCH3 group, MPMOI crystallizes in the noncentrosymmetric space group of P212121 and exhibits a second harmonic generation (SHG) response about 3.7 times larger than that of KDP under a 1064 nm fundamental laser. Thermal analysis, UV-visible absorption, infrared spectroscopy, and Raman spectroscopy were also performed to characterize the physical and chemical properties of MPMOI. This work not only presents a new NLO crystal, but also provides a feasible design strategy for group substitution.
研究领域:
材料科学
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晶体学
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光学
·
分子设计
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DOI
高影响因子
CHEMISTRY & BIODIVERSITY
·
2024
·
IF 2.3
Yongchang Bi,Jingjun Wang,Xingyu Bian,Mingyue Chen,Guangyuan Zhu,Yumin Zhang,Qiang Gu
An efficient and green method for synthesizing 3-methyl-4-(hetero) arylmethylene isoxazole-5(4 H )-ones was developed using a recyclable and environmental–friendly catalyst, Na 2 S 2 O 3 , and 16 target compounds were successfully synthesized under the obtained optimal reaction condition. Using rifampicin as a positive control, the antibacterial activity of all synthesized compounds was tested by micro dilution method, among them, 3-methyl-4-[(2,4-dimethoxyphenyl) methylene]-isoxazole-5-one ( 4 m ) presented wonderful antimicrobial activity, which may contribute to the development of anti-tuberculosis drugs. Graphical
研究领域:
有机化学
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药物化学
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微生物学
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DOI
PubMed
高影响因子
ORGANOMETALLICS
·
2022
·
IF 3.837
Tongshun An,Chenwei Liu,Yanzhao Yin,Xiao-Feng Wu,Zhiping Yin
A general palladium and silver co-catalyzed denitrogenative carbonylation of benzotriazoles for the synthesis of benzoxazin-4-ones has been developed. Employing benzotriazoles as easily accessible substrates and Cr(CO)6 as bench-stable solid carbonyl sources, various benzoxazin-4-ones were synthesized through a ring-opening/denitrogenative/carbonylation cascade processes in moderate to good yields. Notably, this protocol avoids the use of toxic CO gas and special equipment and can also be applied to the late-stage functionalization of substrates derived from the uricosuric agent probenecid.
研究领域:
有机化学
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药物化学
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DOI
高影响因子
ChemistrySelect
·
2023
·Vol. 8
·期 12
·e202204658
·
IF 2.1
Dawei Zhang,Chang Liu,Lu Ren,Wenyu Li,Boyi Luan,Yumin Zhang
Graphical An efficient synthesis of 3-methyl-4-(arylmethylene)isoxazol-5(4 H )-ones are developed via cyclocondensation in 84–94 % yields starting from aromatic aldehydes, hydroxylamine with ethyl acetoacetate vitamin B 1 is catalyzed under ultrasound-assisted. The reaction has simple operation, metal-free catalysis, acid or base free catalysis. As a green catalyst, vitamin B 1 is found to possess favorable catalytic activity and reusability for the condensation reaction. An efficient synthesis of 3-methyl-4-(arylmethylene)isoxazol-5(4 H )-ones are developed via cyclocondensation in 84–94 % yields starting from aromatic aldehydes, hydroxylamine with ethyl acetoacetate vitamin B 1 is catalyzed under ultrasound radiation, and are characterized by HR-MS, FT-IR and 1 H and 13 C NMR spectroscopy. The reaction has simple operation, metal-free catalysis, acid or base free catalysis. As a green catalyst, vitamin B 1 is found to possess favorable catalytic activity and reusability for the condensation reaction. 5-(2-Hydroxy-3-methoxybenzylidene)-3-methylisoxazol-5(4 H )-one as a metal ion fluorescent probe, has excellent selectivity to Sr 2+ and exhibits obvious discoloration. Fe 2+ quenches the fluorescence of the ligand 3-methyl-4-(2,3,4-trihydroxybenzylidene)isoxazol-5(4 H )-one, and exhibits an obvious color change.
研究领域:
有机化学
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分析化学
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药物化学
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产品关联
DOI
高影响因子
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
·
2024
·
IF 2.7
Iqra Saleem Naz Babari,Muhammad Islam,Hamid Saeed,Humaira Nadeem,Fariha Imtiaz,Awais Ali,Nusrat Shafiq,Abdulaziz Alamri,Rabia Zahid,Imran Ahmad
Heterocyclic compounds with oxazole and imidazole rings in their structure have disclosed momentous biological aptitudes. Taking into account their superlative attributes, the present study was designed to introduce a new synthetic scheme to make new derivatives with tremendous futuristic pharmacological potentialities. Series of Oxazolones were synthesized by using substituted benzaldehyde with benzyl halides to produce respective benzaldehyde derivatives 1 (a–d) which further reacted with hippuric acid to yield oxazolones 2 (a–e). Newly synthesized oxazolones then reacted with 4-chloroaniline to yield corresponding imidazolones 3 (a–e). All the compounds were characterized by using FTIR and NMR spectroscopic techniques. Docking studies of Compounds were conducted using AutoDock Vina and analyzed with PYMOL. All synthesized oxazolone and imidazolone derivatives exhibited antioxidant potential, demonstrated by their IC50 values compared to ascorbic acid standard. Oxazolone derivatives (2a–2e) exhibited good acetyl cholinesterase inhibitory potential whereas Imidazolone series did not show significant inhibition as shown by their IC50 values compared to donepezil as a standard. Docking studies of all compounds against acetylcholinesterase demonstrated favorable binding affinity, indicating their potential for further in-vivo studies. It is notable that novel compounds of both oxazolones and Imidazolone series exhibited antioxidant potential with maximum percentage inhibition of 75.9 (IC50 12.9 ± 0.0573 µM/mL) by compound 2d while compound 2a showed AChE inhibitory potential with maximum %age inhibition of 75.49 (IC50 7.8 ± 0.0218 µM/mL).Communicated by Ramaswamy H. Sarma
研究领域:
药物化学
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药理学
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生物化学
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产品关联
DOI
PubMed
高影响因子
CRYSTENGCOMM
·
2016
·Vol. 18
·期 20
·3667-3673
·
IF 3.849
Xinyuan Zhang,Xingxing Jiang,Pengxiang Liu,Yin Li,Heng Tu,Zheshuai Lin,Degang Xu,Guochun Zhang,Yicheng Wu,Jianquan Yao
A series of 3-phenyl-5-isoxazolone and 3-methyl-5-isoxazolone-based compounds with different electron donors were synthesized. Fourteen single crystals in this family were obtained by slow evaporation. Single crystal X-ray studies showed that four new 3-phenyl-5-isoxazolone-based crystals, C20H18N2O2 (PDI), C15H11NO2S (PTI), C23H15NO2 (PFI), and C17H13NO2S (PMI-(I)), belong to the noncentrosymmertric space group. The inclinations to achieve noncentrosymmetric space groups in the 3-phenyl-5-isoxazolone-based crystals have been confirmed by first-principles calculations. Powder second harmonic generation (SHG) tests revealed that the abovementioned four acentric crystals exhibited very large SHG intensities that were about 1 to 3 times that of OH1 (a commonly used nonlinear optical crystal) under 2.09 μm light. Their UV-vis absorption, diffuse reflectance spectroscopy, and thermal properties were also characterized. Moreover, widely tunable and monochromatic terahertz difference frequency generation in the 3-phenyl-5-isoxazolone-based crystal C17H13NO3 (MLS) was realized for the first time.
研究领域:
材料科学
·
光学
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DOI
高影响因子
American Journal of Translational Research
·
2020
·
IF 3.375
Xiugui Wei,Hongyuan Wang,Xuemei Sun,Xiukun Huang,Wanpeng Xu,Yingqin Liang,Lin Liu,Siyan Mo,Xing Lin,Jun Lin
The purpose of this study is to evaluate the protective effect of 4-hydroxy-2(3H)-benzoxazolone from Acanthus ilicifolius (HBAI) on acute liver injury induced by acetaminophen in mice and its mechanism. Mice were continuously treated with HBAI (200, 100, 50 mg/kg) once a day for 10 days. After that, the mice were fasted for 8 hours, followed by intraperitoneal injection of acetaminophen (300 mg/kg). The results showed that HBAI pretreatment significantly reduced acetaminophen-induced liver tissue congestion, hepatocyte apoptosis and necrosis, and inflammatory cell infiltration. HBAI could effectively reduce the levels of serum alanine aminotransferase, aspartate aminotransferase, total bilirubin, reactive oxygen species and malondialdehyde. Interestingly, the activities of liver catalase, superoxide dismutase, glutathione and glutathione reductase were enhanced by HBAI pretreatment. Moreover, HBAI pretreatment alleviated acetaminophen-induced hepatocyte apoptosis by regulating the expression of Bcl-2 family proteins and the mitochondrial function. Further study showed that HBAI pretreatment effectively promoted the expression of Nrf2 and its signal downstream HO-1, NQO1, GCLC, GCLM, and MGST-1, suggesting the activation of the Nrf2/HO-1 signaling pathway. Meanwhile, HBAI attenuated the phosphorylation of NF-κBp65, IKKα/β, and IκBα, as well as the expression of NF-κBp50, which indicated that HBAI blocked the signal transduction of NF-κB pathway. In conclusion, HBAI protects against acetaminophen-induced acute liver injury by inhibiting the NF-κB and activating Nrf2/HO-1 signaling pathways.
研究领域:
药理学
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毒理学
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肝病学
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产品关联
DOI
PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2023
·Vol. 20
·期 6
·e202201145
·
IF 2.9
Huiying Bai,Zhen Cao,Sha Meng,Rui Ge,Shurong Ban,Yuanlin Zhang,Li Tang,Qing-Shan Li
Myeloid differentiation protein 2 (MD2), a key TLR4 adaptor protein for sensing LPS, plays an important role in inflammatory process and has been identified as a promising target for the treatment of a variety of inflammatory diseases. In our study, a series of benzoxazolone derivatives were synthesized, characterized and tested for anti-inflammatory activity in vitro . The compounds 3c , 3d and 3g demonstrated the greatest anti-inflammatory activity against IL-6 with IC 50 values of 10.14±0.08, 5.43±0.51 and 5.09±0.88 μM, respectively. Furthermore, the bis-ANS displacement assay revealed that these compounds competitively inhibited the binding between the probe bis-ANS and the MD2 protein. The most active compound 3g , revealed a directly bind with MD2 protein via Arg90 binding and a dissociation constant value of 1.52×10 −6 mol L −1 as determined by the biological layer interference (BLI) assay. Our finding suggested that compounds 3g could be a promising lead compound as MD2 inhibitor for further anti-inflammatory agent development.
研究领域:
药理学
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药物化学
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炎症研究
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DOI
PubMed
高影响因子
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