Search results for "Medicinal chemistry"
showing 10 items of 2264 documents
Minor changes in the macrocyclic ligands but major consequences on the efficiency of gold nanoparticles designed for radiosensitization
2016
International audience; Many studies have been devoted to adapting the design of gold nanoparticles to efficiently exploit their promising capability to enhance the effects of radiotherapy. In particular, the addition of magnetic resonance imaging modality constitutes an attractive strategy for enhancing the selectivity of radiotherapy since it allows the determination of the most suited delay between the injection of nanoparticles and irradiation. This requires the functionalization of the gold core by an organic shell composed of thiolated gadolinium chelates. The risk of nephrogenic systemic fibrosis induced by the release of gadolinium ions should encourage the use of macrocyclic chelat…
Preface to "Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics"
2021
4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one
2008
The crystal structure of the title compound, C15H11FN2O3, was determined as part of a study on the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The dihedral angles between rings are isoxazole/benzene = 55.0 (3)°, isoxazole/pyridine = 33.8 (2)° and benzene/pyridine = 58.1 (2)°.
Novel bile acid conjugates with aryl/alkenyl linker: Synthesis and characterization
2008
Abstract Eight potential precursors for the design of bile acid derived receptors viz. 2,6-bis[dimethyl(3α-hydroxy-5β-cholan-24-amidoethyl)ammonio-methyl]naphthalene dibromide (1), 3,3′-bis[dimethyl(3α-hydroxy-5β-cholan-24-amidoethyl)ammoniomethyl]biphenyl dibromide (2), 3,3′-bis[dimethyl(3α,7α,12α-trihydroxy-5β-cholan-24-amidoethyl)ammoniomethyl]biphenyl dibromide (3), 4,4′-bis[dimethyl(3α-hydroxy-5β-cholan-24-amidoethyl)ammoniomethyl]stilbene dibromide (4), 4,4′-bis[dimethyl(3α,7α,12α-trihydroxy-5β-cholan-24-amidoethyl)ammoniomethyl]stilbene dibromide (5), allyl-dimethyl(3α,7α,12α-trihydroxy-5β-cholan-24-amidoethyl)ammonium bromide (6), 1,4′-bis[dimethyl(3α-hydroxy-5β-cholan-24-amidoethyl…
Palladium-Catalyzed Arylation of Linear and Cyclic Polyamines.
2005
Synthetic protocols for the palladium-catalyzed arylation of various linear and cyclic polyamines and polyoxapolyamines has been worked out. Pd(0) and Pd(II) complexes with such phosphine ligands as dppf, BINAP, PPF-OMe, P(tBu) 3 , 2-ditert-butylphosphino- 1,1'-biphenyl have been explored in the catalytic amination reactions. Monoamination of chloro-, bromo-, and iodoarenes with di-, tri-, and tetraamines have been carried out, condi- tions for di- and polyarylation of linear polyamines have been elaborated. Successful aryla- tion of 1,4,7,10-tetraazacyclododecane (cyclene) and 1,4,8,11-tetraazacyclotetradecane (cy- clam) have been conducted. Intramolecular diamination of dihaloarenes such …
Biphenyl derivatives containing trimethylsilyl benzyl ether or oxime groups as probes for NO2 detection
2016
[EN] Four probes based in the use of a biphenyl moiety and functionalized with trimethylsilyl benzyl ether (P1 and P3) and oxime (P2 and P4) groups have been prepared and tested as optical probes for the detection of NO2. Reaction of NO2 with acetonitrile solutions of P2-P4 resulted in the formation of aldehydes 7 and 8 with a concomitant redshift of the absorption bands. Probe P2 displayed a bathochromic shift of 45 nm upon reaction with NO2 and was able to detect this poisonous gas at concentrations as low as 0.02 ppm. P2 was highly selective against NO2 and other gases (i.e. NO, CO2, H2S, SO2) and vapours of organic solvents (i.e. acetone, hexane, chloroform, acetonitrile or toluene) had…
Triphenyl[(4-phenylbenzoyl)methyl]phosphonium trifluoromethanesulfonate
2010
In the cation of the title compound, C32H26OP+·CF3O3S−, the dihedral angle between the benzene rings of the biphenyl group is 42.37 (8)°. In the crystal, the cations and anions interact through intermolecular C—H...O hydrogen bonds, forming chains parallel to the b axis. These chains are further linked by C—H...π stacking interactions into layers parallel to the bc plane.
Isostructural potassium and thallium salts of sterically crowded triazenes: a structural and computational study.
2008
Because of their similar cationic radii, potassium and thallium(I) compounds are usually regarded as closely related. Homologous molecular species containing either K(+) or Tl(+) are very rare, however. We have synthesized potassium and thallium salts MN3RR' derived from the biphenyl- or terphenyl-substituted triazenes Tph2N3H (1a), Dmp(Mph)N3H (1b), Dmp(Tph)N3H (1c), and (Me4Ter)2N3H (1d) (Dmp=2,6-Mes 2C6H3 with Mes=2,4,6-Me3C6H2; Me4Ter=2,6-(3,5-Me2C6H3)2C6H3; Mph=2-MesC6H4; Tph=2-TripC6H4 with Trip=2,4,6-(i)Pr3C6H2). The potassium complexes 2a- d were obtained in almost quantitative yield from the reaction of 1a- d with potassium metal in n-heptane. Metalation of 1a- d with TlOEt afforde…
Sterically crowded triazenides as novel ancillary ligands in copper chemistry
2011
Abstract We have synthesized copper salts MN3RR′ derived from the biphenyl- or m-terphenyl-substituted triazenes Tph2N3H (1a) and Dmp(Tph)N3H (1b) (Dmp = 2,6-Mes2C6H3 with Mes = 2,4,6-Me3C6H2; Tph = 2-TripC6H4 with Trip = 2,4,6-i-Pr3C6H2). The homoleptic copper triazenide [CuN3Tph2] (2a) was obtained in high yield from the metallation of 1a with mesityl copper in n-heptane, while the complex [CuN3(Dmp)Tph] (2b) was generated by the same method in situ only. Reaction of 2a with triphenylphosphane gave the 2:1 adduct [CuN3Tph2(PPh3)2] (3a), regardless of the used complex/donor ratio, while reaction of 2a or 2b with a stochiometric amount of t-butylisonitrile afforded the 1:1 adducts [Tph2N3Cu…
Biphenyl macrolactams in anion complexation. Selective naked-eye fluoride recognition
2004
Two colorimetric anion sensors 1 and 2 allow for the selective differentiation of fluoride in the presence of other anions. Two different types of species have been observed in the complexation process, one of them is a co-ordination complex and the other is a salt generated by ligand deprotonation. The deprotonation reaction induces a conformational change, giving rise to a symmetrical species. This species is responsible for colour development. Ligand 3 has a similar structure and does not give rise to any colour modification due to presence of the dimethylamino groups in the biphenyl moiety. The X-ray structure of ligand 2 is also reported and compared with that of ligand 1, that had bee…