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A series of fluorinated analogs of malachite green (MG) have been synthesized and their toxicity to Saccharomyces cerevisiae and a human ovarian epithelial cell line examined. The toxicity profiles were found to be different for these two species. Two analogs, one with 2,4-difluoro substitution and the other with 2-fluoro substitution seem to be the most promising analogs because they showed the lowest toxicity to the human cells.
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http://dx.doi.org/10.3390/molecules13040986 | DOI Listing |
Org Biomol Chem
September 2025
A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28, bld. 1 Vavilova St, 119334 Moscow, Russian Federation.
4,4-Difluoro-4-bora-3,4-diaza--indacene systems (BODIPY) are widely investigated fluorophores. The BODIPY core allows for introducing substituents at different positions. Taking advantage of the versatile properties of carborane cages for the modification of photoactive compounds, we developed the synthesis of carborane-substituted BODIPYs.
View Article and Find Full Text PDFChemphyschem
September 2025
Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, Higher Educational Key Laboratory for Nano Biomedical Technology of Fujian Province, The School of Pharmacy, Fujian Medical University, Fuzhou, 350108, P. R. China.
The development of 5-fluorouracil (5-FU) analogs contributes to overcome its side effects and drug resistance. To explore more 5-FU analogs, the substituent effect of BO, NO, and PO on the geometric structure, electronic properties, and reactivity of 5-FU has been systematically studied by density functional theory calculations and molecular docking in this article. It is revealed that the introduced superhalogens can not only form stable covalent bonds with the pyrimidine ring, like the original F atom in 5-FU, but also pose significant effect on the geometric and electronic structures of 5-FU.
View Article and Find Full Text PDFSci Rep
August 2025
Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, People's Republic of China.
In modern Boron neutron capture therapy (BNCT) treatment planning, F-BPA (F-boronophenylalanine) PET (positron emission tomography) imaging is used to assess boron uptake and guide accurate dose delivery. This study evaluates the geometric and dosimetric differences between target volumes defined by MRI (magnetic resonance imaging) and PET images in accelerator-based BNCT using the NeuPex system. The GTV (gross tumor volume) was defined based on MRI (GTV) and PET images with SUV thresholds of 2.
View Article and Find Full Text PDFOrg Biomol Chem
August 2025
Department of Chemistry, Kyiv National Taras Shevchenko University, Hetman Pavlo Skoropadskyi Street 12, Kyiv, 01601, Ukraine.
The synthesis of new 3-(trifluoromethyl)-1-1,2,4-triazoles is reported, starting from ethyl trifluoroacetimidate and Boc-protected amino acid hydrazides. The influence of elongation or branching of a linker between the hydrazide and amino group on cyclization of amidrazones is established. The scale-up of the synthesis of -butyl ((3-(trifluoromethyl)-1-1,2,4-triazol-5-yl)methyl)carbamate (4a) starting with 1 mole of corresponding hydrazide and trifluoroacetonitrile was successfully demonstrated.
View Article and Find Full Text PDFJ Am Chem Soc
August 2025
State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
The long-sought goal of dinitrogen (N) fixation chemistry is to effect facile synthesis of nitrogen-containing chemicals directly from N. To date, electrophilic attack of coordinated N ligands of transition metal dinitrogen complexes represents the most straightforward route to construct nitrogen-element bonds. Although electrophilic functionalization of monodinitrogen complexes to furnish diazenido and hydrazido species has been well-documented, for those complexes containing multiple N moieties, analogous reactions invariably lead to N extrusion and at most one N can be derivatized.
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