102806-98-4Relevant academic research and scientific papers
Conformational isomerism of trans-[Pt(NH2C6H 11)2I2] and the classical Wernerian chemistry of [Pt(NH2C6H11)4]X2 (X = Cl, Br, I)
Johnstone, Timothy C.,Lippard, Stephen J.
, p. 565 - 575 (2013/06/27)
X-ray crystallographic analysis of the compound trans-[Pt(NH 2C6H11)2I2] revealed the presence of two distinct conformers within one crystal lattice. This compound was studied by variable temperature
Molecular interaction fields vs. quantum-mechanical-based descriptors in the modelling of lipophilicity of platinum(iv) complexes
Ermondi, Giuseppe,Caron, Giulia,Ravera, Mauro,Gabano, Elisabetta,Bianco, Sabrina,Platts, James A.,Osella, Domenico
supporting information, p. 3482 - 3489 (2013/03/28)
We report QSAR calculations using VolSurf descriptors to model the lipophilicity of 53 Pt(iv) complexes with a diverse range of axial and equatorial ligands. Lipophilicity is measured using an efficient HPLC method. Previous models based on a subset of these data are shown to be inadequate, due to incompatibility of whole molecule descriptors between carboxylato and hydroxido ligands. Instead, the interaction surfaces of complexes with various probes are used as independent descriptors. Partial least squares modelling using three latent variables results in an accurate (R2 = 0.92) and robust model (Q2 = 0.87) of lipophilicity, that moreover highlights the importance of size and hydrophobicity terms and the modest relevance of hydrogen bonding.
Study of Pt(II)-cyclic amines complexes of the types cis- and trans-Pt(amine)2I2 and cis- and trans-Pt(amine) 2(NO3)2 and their aqueous products
Rochon, Fernande D.,Buculei, Viorel
, p. 2040 - 2056 (2008/10/09)
Complexes of the types cis- and trans-Pt(amine)2I2 containing cyclic amines were synthesized and studied mainly by IR and multinuclear NMR spectroscopies. The compounds were converted to cis- and trans-Pt(amine)2(NO3)2, which were also investigated. The hydrolysis and the aquation reactions of the latter compounds were then studied in D2O in different conditions of pH. In acidic medium, the aqueous product is [Pt(amine)2(D2O) 2]2+ and for a few amines, [Pt(amine)2(D 2O)(NO3)]+ was detected. In basic pH, the main product is Pt(amine)2(OD)2 and Pt(amine) 2(OD)(NO3) was detected for several compounds. In neutral pH, the cis isomers form between two and four species in fresh solutions. The most shielded species in 195Pt NMR is the monoaqua-monohydroxo complex cis-[Pt(amine)2(D2O)(OD)]+ and the less shielded compound is the dihydroxo-bridged dimer [Pt(amine)2(μ- OD)2Pt(amine)2]2+, which were observed for all the compounds. For a few amines, the monohydroxo-bridged dimer [Pt(D 2O)(amine)2(μ-OD)Pt(OD)(amine)2] 2+ was detected and for cyclohexylamine, a fourth signal was assigned to a cyclic hydroxo-bridged trimer [(Pt(amine)2(μ-OD)) 3]3+. 195Pt NMR spectroscopy has shown that the concentration of the monomer decreases with time, while the concentration of the dimers increases. Only one product was observed for the trans isomers in neutral pH. The signal was assigned to the monoaqua-monohydroxo species trans-[Pt(amine)2(D2O)(OD)]+. The 13C and 1H NMR spectra of most of the complexes were measured. All the coupling constants 2,3J(195Pt- 1H) and 2,3J(195Pt-13C) are larger in the cis compounds than in the trans isomers.
Crystal and Molecular Structures of Asymmetric cis- and trans-Platinum(II/IV) Compounds and Their Reactions with DNA Fragments
Talman, Eduard G.,Brüning, Wolfgang,Reedijk, Jan,Spek, Anthony L.,Veldman, Nora
, p. 854 - 861 (2008/10/09)
The asymmetrically substituted platinum(II) complexes cis-Pt(NH3)(c-C5H11NH2)Cl 2 and trans-Pt(NH3)(c-C6H11-NH2)Cl 2 have been synthesized and their crystal structures have been determined. Crystals of cis-Pt(NH3)(c-C6H11NH2)Cl 2 (1) are orthorhombic, space group Pbca (no. 61) with a = 10.1994(12), b = 10.494(2), c = 18.826(2) ?, Z = 8. The structure refinement converged to R1 = 0.0518 and wR2 = 0.1143. Crystals of trans-Pt(NH3)(c-C6H11NH2)Cl 2 (2) are monoclinic, space group P21/c (no. 14) with a = 12.141(3), b = 6.0965(9), c = 19.864(3) ?, β= 118.71(2)°, Z = 4. The structure refinement converged to R1 = 0.0711 and wR2 = 0.1846. In addition, the Pt(IV) analogues with axial hydroxide ligands have been synthesized. Also the corresponding bis(carboxylato)-platinum(IV) compound of formula trans,cis,cis-Pt(NH3)(c-C6H11NH 2)Cl2(OOCCH3)2 has been obtained by conversion of the hydroxide with acetic anhydride. Reactions of these platinum complexes with 9-methylhy-poxanthine and guanosine-5′-monophosphate (5′-GMP) have been studied in significant detail. The course of the reactions was followed by NMR spectroscopy, and 1H and 195Pt techniques were used to identify the formation of the products. It was found that the Pt(II) compounds easily react with the bases at the N7 position, whereas the Pt(IV) compounds react very slowly (for trans,cis,cis-Pt(NH3)(c-C6H11NH 2)Cl2(OOCCH3)2) or not at all (for trans,trans,trans-Pt(NH3)(c-C6H11NH 2)Cl2(OH)2). Only in the presence of glutathione does a reaction of the latter with 5′-GMP takes place. In this case a major product was found to be the reduced trans-Pt(II) complex with one molecule of 5′-GMP and one molecule of S-bonded glutathione.
A Rapid Method for the Synthesis of Water-soluble Platinum(II) Amine and Pyridine Complexes
Souchard, Jean-Pierre,Wimmer, Franz L.,Ha, Tam T. B.,Johnson, Neil P.
, p. 307 - 310 (2007/10/02)
Seventeen cis- complexes (am = methylamine, cycloalkylamines, substituted pyridines, aniline, or benzylamine; 2am = 2,2'-bipyridyl) were synthesized by reaction of cis- with silver nitrate in acetone.The reaction was rapid (5-20 min at room temperature) with a yield of about 85percent.The complexes appear to be stable in acetone with respect to isomerization.Thus, after 1 h at 25 degC acetone solutions of cis- (am = cyclohexylamine or 4-methylpyridine; X = I or ONO2) showed no isomerization judging by 1H n.m.r. spectroscopy of these compounds and their corresponding trans isomers.
