In the title compound, C(17)H(15)F(3)N(4)O(2), the dihedral angle between the trifluoro-meth-oxy-substituted benzene ring and the pyrimidinone ring is 45.1 (5)°, while that between the fused benzene ring and the pyrimidinone ring is 0.67 (1)°. Part of one of the benzene rings and its trifluoro-meth-oxy substituent are disordered over two positions of approximately equal occupancy (0.51:0.49). Inter-molecular N-H⋯O and N-H⋯N hydrogen bonds contribute to the stability of the crystal structure. A weak intra-molecular C-H⋯F contact is also found. In addition, π-π stacking inter-actions, with centroid-centroid distances in the range 3.673 (6)-3.780 (8) Å, and weak C-H⋯π inter-actions are also observed.
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http://dx.doi.org/10.1107/S1600536810024645 | DOI Listing |
Talanta
January 2025
College of Chemistry and Materials Science, Hunan Engineering Research Center for Monitoring and Treatment of Heavy Metals Pollution in the Upper Reaches of Xiangjiang River, Hengyang Normal University, Hengyang, 421001, China. Electronic address:
The accurate and sensitive quantification of hydroxyl radical (·OH) and glucose is necessary for disease diagnosis and health guidance, but still challenging owing to the low concentration of ·OH and poor water solubility of fluorescent probes. In addition, fluorescent probes may cause secondary pollution to the environment. Here an organic cage was reported as a sensitive fluorescent probe for ·OH and glucose in aqueous solution without serious secondary pollution.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55, A. I. Virtasen aukio 1, Helsinki FIN-00014, Finland.
We have calculated the magnetically induced current density (MICD) susceptibility at the all-electron density functional theory level for a series of coronoid molecules of increasing size and compared the MICD susceptibilities with those calculated using the pseudo-π (PP) model. The molecules sustain global diatropic magnetically induced ring currents (MIRCs), whereas paratropic MICD vortices mainly appear inside the benzene rings. The computationally cheaper PP calculations were also employed on circum[]coronene molecules showing that the MICD pattern continues to alternate for odd and even when increasing the size of the molecule.
View Article and Find Full Text PDFJ Agric Food Chem
January 2025
Institute of Applied Chemistry, Jiangxi Academy of Sciences, Nanchang 330096, China.
Taking the natural product cerbinal as the lead compound, 30 novel 5-aryl-cyclopenta[]pyridine derivatives were designed and synthesized based on the previous bioactivity studies of the cyclopenta[]pyridines. The modification of the position-5 of compound was achieved by amination, bromination, and cross coupling using cerbinal as the raw material. The results of the bioactivity tests demonstrated that partial compounds exhibited superior activity against plant viruses compared to compound .
View Article and Find Full Text PDFBiochemistry
January 2025
Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan.
CYP105A1 exhibits monooxygenase activity to a wide variety of structurally different substrates with regio- and stereospecificity, making its application range broad. Our previous studies have shown that CYP105A1 wild type and its variants metabolize 12 types of nonsteroidal anti-inflammatory drugs (NSAIDs). In particular, the R84A variant exhibited a high activity against many NSAIDs.
View Article and Find Full Text PDFSmall
January 2025
The Department of Medical Imaging, The Affiliated Guangdong Second Provincial General Hospital of Jinan University, Xingangzhong Road 466, Guangzhou, 518037, P. R. China.
The self-assembly of hydrophobic organic phototherapeutic agents (OPTAs) with expansive planar structures into nanoparticles (NPs) represents a pivotal strategy to bolster their biocompatibility. However, the tight molecular packing within these NPs significantly influences the generation of reactive oxygen species (ROS) and the photothermal conversion efficiency (PCE), posing a substantial hurdle to elevating the efficacy of photodynamic therapy (PDT) and photothermal therapy (PTT) for such NPs. In this article, three OPTAs by donor engineering are synthesized.
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