42899-59-2Relevant academic research and scientific papers
A Dy4 Cubane: A New Member in the Single-Molecule Toroics Family
Fernandez Garcia, Guglielmo,Guettas, Djamila,Montigaud, Vincent,Larini, Paolo,Sessoli, Roberta,Totti, Federico,Cador, Olivier,Pilet, Guillaume,Le Guennic, Boris
, p. 17089 - 17093 (2018)
Molecular materials that possess a toroidal moment associated to a non-magnetic ground state are known as single-molecule toroics (SMTs) and are usually planar molecules. Herein, we report a Dy4 cubane, namely [Dy4(Bppd)4(μ3-OH)4(Pa)4(H2O)4]?0.333 H2O (where BppdH=1,3-Bis(pyridin-4-yl)propane-1,3-dione and PaH=2-Picolinic acid) for which magnetometry measurements and state-of-art ab initio calculations highlight SMT behavior in a tridimensional structure (3D-SMT). The in-depth theoretical analysis on the resulting low-lying energy states, along with their variation in function of the magnetic exchange pathways, allows further light to be shed on the description of single-molecule toroics and identify the coupling scheme that better reproduces the observed data.
A three-dimensional cubic halogen-bonded network
Pfrunder, Michael C.,Brock, Aidan J.,Brown, Joshua J.,Grosjean, Arnaud,Ward, John,McMurtrie, John C.,Clegg, Jack K.
, p. 3974 - 3976 (2018)
The rational, deliberate design of supramolecular architectures is of great importance for the discovery of complex materials. A three-dimensional cubic halogen-bonded network has been prepared by combination of an octahedral metal-containing halogen bond acceptor and a linear ditopic donor. This material displays α-Po pcu topology and is seven-fold interpenetrated. This is the first neutral, metal-containing three-dimensional halogen-bonded network to be reported.
Synthesis, anticonvulsant activity and QSAR studies of some new pyrazolyl pyridines
Pradhan, Joohee,Goyal, Anju
, p. 1639 - 1656 (2016)
Twenty-one new 3,5-bipyridinyl-1H-pyrazole derivatives (pyrazolyl pyridines) have been synthesized and evaluated for their anticonvulsant activity in animal models of epilepsy. The pyrazolyl pyridines, 7–27, were obtained through a general one-pot synthes
Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases
Kumpan, Katerina,Nathubhai, Amit,Zhang, Chenlu,Wood, Pauline J.,Lloyd, Matthew D.,Thompson, Andrew S.,Haikarainen, Teemu,Lehti?, Lari,Threadgill, Michael D.
supporting information, p. 3013 - 3032 (2015/08/03)
Abstract The tankyrases are members of the PARP superfamily; they poly(ADP-ribosyl)ate their target proteins using NAD+ as a source of electrophilic ADP-ribosyl units. The three principal protein substrates of the tankyrases (TRF1, NuMA and axin) are involved in replication of cancer cells; thus inhibitors of the tankyrases may have anticancer activity. Using structure-based drug design and by analogy with known 3-arylisoquinolin-1-one and 2-arylquinazolin-4-one inhibitors, series of arylnaphthyridinones, arylpyridinopyrimidinones and their tetrahydro-derivatives were synthesised and evaluated in vitro. 7-Aryl-1,6-naphthyridin-5-ones, 3-aryl-2,6-naphthyridin-1-ones and 3-aryl-2,7-naphthyridin-1-ones were prepared by acid-catalysed cyclisation of the corresponding arylethynylpyridinenitriles or reaction of bromopyridinecarboxylic acids with β-diketones, followed by treatment with NH3. The 7-aryl-1,6-naphthyridin-5-ones were methylated at 1-N and reduced to 7-aryl-1-methyl-1,2,3,4-tetrahydro-1,6-naphthyridin-5-ones. Cu-catalysed reaction of benzamidines with bromopyridinecarboxylic acids furnished 2-arylpyrido[2,3-d]pyrimidin-4-ones. Condensation of benzamidines with methyl 1-benzyl-4-oxopiperidine-3-carboxylate and deprotection gave 2-aryl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ones, aza analogues of the known inhibitor XAV939. Introduction of the ring-N in the arylnaphthyridinones and the arylpyridopyrimidinones caused >1000-fold loss in activity, compared with their carbocyclic isoquinolinone and quinazolinone analogues. However, the 7-aryl-1-methyl-1,2,3,4-tetrahydro-1,6-naphthyridin-5-ones showed excellent inhibition of the tankyrases, with some examples having IC50 = 2 nM. One compound (7-(4-bromophenyl)-1-methyl-1,2,3,4-tetrahydro-1,6-naphthyridin-5-one) showed 70-fold selectivity for inhibition of tankyrase-2 versus tankyrase-1. The mode of binding was explored through crystal structures of inhibitors in complex with tankyrase-2.
Formation of HoIII trinuclear clusters and GdIII monodimensional polymers induced by ortho and para regioisomers of pyridyl-functionalised a-diketones: Synthesis, structure, and magnetic properties
Andrews, Philip C.,Deacon, Glen B.,Frank, Rene,Fraser, Benjamin H.,Junk, Peter C.,MacLellan, Jonathan G.,Massi, Miliano,Moubaraki, Boujemaa,Murray, Keith S.,Silberstein, Morry
experimental part, p. 744 - 751 (2009/06/05)
Reaction of GdCl3(H2O)6 and 1,3-bis(pyridin-4-yl)propane-1,3-dione in methanol with an excess of triethylamine produced a monodimensional polymeric chain [Gd(p-dppd) 3-(H2O)]∞, whereas treatment of HoCl 3(H2O)6 with 1,3-bis(pyridin-2-yl)propane-1,3- dione yielded a trinuclear cluster [Ho3(o-dppd) 3(μ3-OH)2(H2O)4Cl 2]Cl2. The compounds were characterised by elemental analysis, IR spectroscopy and magnetism, and their structures were investigated by X-ray crystallography. The 8.20-μB magnetic-moment value of the polymeric [Gd(p-dppd)3(H2O)]∞, between 300 and 20 K, and the magnetisation isotherms (2-20 K; fields 0-5 T), are in agreement with essentially uncoupled single-ion Gd3+ f7 centres, a small decrease in μeff below 20 K being indicative of zero-field splitting. A temperature-dependent dc-susceptibility and magnetisation investigation of the trinuclear (tri-angular) [Ho 3(o-dppd)3(μ3-OH)2(H 2O)4Cl2]Cl2 revealed that spin-orbit and ligand-field effects on the Ho3+ centres, leading to thermal depopulation of Zeeman levels and consequent decreases in μeff values with decreasing temperature, are occurring rather than weak intra-cluster antiferromagnetic coupling. Frequency- and temperature-dependent acsusceptibility studies on this homometallic Ho3+ cluster did not show clear evidence for slow magnetisation reversal, characteristic of single-molecule magnetism (SMM), and this contrasts with such behaviour recently reported, elsewhere, for a Dy3+ triangle having the same core structure but with different chelating {O,O} ligands. Wiley-VCH Verlag GmbH & Co. KGaA, 2009.
