Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures
Identifieur interne : 001991 ( Main/Exploration ); précédent : 001990; suivant : 001992Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures
Auteurs : Roland K. O. Sigel [États-Unis] ; Michal Sabat [États-Unis] ; Eva Freisinger [États-Unis] ; Amanda Mower [États-Unis] ; Bernhard Lippert [États-Unis]Source :
- Inorganic Chemistry [ 0020-1669 ] ; 1999.
Abstract
The X-ray crystal structures of four mixed-nucleobase complexes 1a, 1b, 2, and 4 of trans-a2PtII (a = NH3 or CH3NH2) with N1-bonded 7,9-dimethylguanine (7,9-DimeG) and N7-bonded 9-ethylguanine (9-EtGH) are reported. The compounds are discussed in terms of their possible model character for platinated nucleobase triplets of the pu × pu·pym (pu = purine, pym = pyrimidine) type and are compared with known guanine·guanine pairs. Structural differences resulting from a “metal modification” have been studied, as have been stacking and H bonding motifs. 1a and 1b are two modifications of the same compound, trans-[(NH3)2Pt(7,9-DimeG)(9-EtGH)](ClO4)2·H2O. X-ray data for 1a: orthorhombic, Pca21, a = 13.833(3) Å, b = 14.357(3) Å, c = 13.293(3) Å, Z = 4, R = 0.027. 1b: monoclinic, P21/n, a = 13.987(3) Å, b = 12.582(3) Å, c = 15.613(3) Å, β = 104.61(3)°, Z = 4, R = 0.034. trans-[(CH3NH2)2Pt(7,9-DimeG)(9-EtGH)](ClO4)2 (2): orthorhombic, Pca21, a = 13.886(1) Å, b = 14.698(1) Å, c = 13.008(3) Å, Z = 4, R = 0.034. trans-[a2Pt(7,9-DimeG)(9-EtG)](ClO4)·nH2O (3, a = NH3, n = 2; 4, a = CH3NH2, n = 3). X-ray data for 4: monoclinic, C2/c, a = 23.296(5) Å, b = 10.566(2) Å, c = 22.327(4) Å, β = 93.73(3)°, Z = 8, R = 0.047. The metalated base triplet 2·(1-MeC) (1-MeC = 1-methylcytosine) has been detected in DMSO-d6 solution through 1H NMR spectroscopy, and an ab initio optimized structure of an analogous platinated base triplet has been obtained.
Different X-ray crystal structures of trans-a2PtII (a = NH3 or CH3NH2) with 7,9-dimethylguanine (7,9-DimeG) and neutral or deprotonated 9-ethylguanine (9-EtGH) are reported. The compounds are discussed in terms of their possible model character for platinated nucleobase triplets of the pu × pu·pym (pu = purine, pym = pyrimidine) type. The metalated base triplet {trans-[(CH3NH2)2Pt(7,9-DimeG)(9-EtGH)]·(1-MeC)}2+ (1-MeC = 1-methylcytosine) has been detected in DMSO-d6 solution through 1H NMR spectroscopy, and an ab initio optimized structure of an analogous platinated base triplet has been obtained.
Url:
DOI: 10.1021/ic981005o
Affiliations:
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<hi rend="italic">trans</hi>-[a<hi rend="subscript">2</hi>Pt(7,9-DimeG-<hi rend="italic">N1</hi>)(9-EtGH-<hi rend="italic">N7</hi>)]<hi rend="superscript">2+</hi> and <hi rend="italic">trans</hi>-[a<hi rend="subscript">2</hi>Pt(7,9-DimeG-<hi rend="italic">N1</hi>)(9-EtG-<hi rend="italic">N7</hi>)]<hi rend="superscript">+</hi>
(a = NH<hi rend="subscript">3</hi> or CH<hi rend="subscript">3</hi>NH<hi rend="subscript">2</hi>; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine).
Possible Relevance to Metalated DNA Triplex Structures</title><author><name sortKey="Sigel, Roland K O" sort="Sigel, Roland K O" uniqKey="Sigel R" first="Roland K. O." last="Sigel">Roland K. O. Sigel</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Virginie</region></placeName><wicri:cityArea>Fachbereich Chemie, Universität Dortmund, D-44221 Dortmund, Germany,and Department of Chemistry, University of Virginia, Charlottesville</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Sabat, Michal" sort="Sabat, Michal" uniqKey="Sabat M" first="Michal" last="Sabat">Michal Sabat</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Virginie</region></placeName><wicri:cityArea>Fachbereich Chemie, Universität Dortmund, D-44221 Dortmund, Germany,and Department of Chemistry, University of Virginia, Charlottesville</wicri:cityArea></affiliation><affiliation></affiliation><affiliation></affiliation></author><author><name sortKey="Freisinger, Eva" sort="Freisinger, Eva" uniqKey="Freisinger E" first="Eva" last="Freisinger">Eva Freisinger</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Virginie</region></placeName><wicri:cityArea>Fachbereich Chemie, Universität Dortmund, D-44221 Dortmund, Germany,and Department of Chemistry, University of Virginia, Charlottesville</wicri:cityArea></affiliation><affiliation></affiliation></author><author><name sortKey="Mower, Amanda" sort="Mower, Amanda" uniqKey="Mower A" first="Amanda" last="Mower">Amanda Mower</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Virginie</region></placeName><wicri:cityArea>Fachbereich Chemie, Universität Dortmund, D-44221 Dortmund, Germany,and Department of Chemistry, University of Virginia, Charlottesville</wicri:cityArea></affiliation><affiliation></affiliation><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">New Jersey</region></placeName><wicri:cityArea> Participant of the Research Experience for Undergraduates program,Department of Chemistry, University of Virginia, 1997. Present address: College of Saint Elizabeth, Morristown</wicri:cityArea></affiliation></author><author><name sortKey="Lippert, Bernhard" sort="Lippert, Bernhard" uniqKey="Lippert B" first="Bernhard" last="Lippert">Bernhard Lippert</name><affiliation wicri:level="2"><country xml:lang="fr">États-Unis</country><placeName><region type="state">Virginie</region></placeName><wicri:cityArea>Fachbereich Chemie, Universität Dortmund, D-44221 Dortmund, Germany,and Department of Chemistry, University of Virginia, Charlottesville</wicri:cityArea></affiliation><affiliation></affiliation><affiliation></affiliation></author></analytic><monogr></monogr><series><title level="j" type="main">Inorganic Chemistry</title><title level="j" type="abbrev">Inorg. Chem.</title><idno type="ISSN">0020-1669</idno><idno type="eISSN">1520-510X</idno><imprint><publisher>American Chemical Society</publisher><date type="e-published" when="1999-03-16">1999</date><date when="1999-04-05">1999</date><biblScope unit="vol">38</biblScope><biblScope unit="issue">7</biblScope><biblScope unit="page" from="1481">1481</biblScope><biblScope unit="page" to="1490">1490</biblScope></imprint><idno type="ISSN">0020-1669</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0020-1669</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract">The X-ray crystal structures of four mixed-nucleobase complexes 1a, 1b, 2, and 4 of trans-a2PtII (a = NH3 or CH3NH2) with N1-bonded 7,9-dimethylguanine (7,9-DimeG) and N7-bonded 9-ethylguanine (9-EtGH) are reported. The compounds are discussed in terms of their possible model character for platinated nucleobase triplets of the pu × pu·pym (pu = purine, pym = pyrimidine) type and are compared with known guanine·guanine pairs. Structural differences resulting from a “metal modification” have been studied, as have been stacking and H bonding motifs. 1a and 1b are two modifications of the same compound, trans-[(NH3)2Pt(7,9-DimeG)(9-EtGH)](ClO4)2·H2O. X-ray data for 1a: orthorhombic, Pca21, a = 13.833(3) Å, b = 14.357(3) Å, c = 13.293(3) Å, Z = 4, R = 0.027. 1b: monoclinic, P21/n, a = 13.987(3) Å, b = 12.582(3) Å, c = 15.613(3) Å, β = 104.61(3)°, Z = 4, R = 0.034. trans-[(CH3NH2)2Pt(7,9-DimeG)(9-EtGH)](ClO4)2 (2): orthorhombic, Pca21, a = 13.886(1) Å, b = 14.698(1) Å, c = 13.008(3) Å, Z = 4, R = 0.034. trans-[a2Pt(7,9-DimeG)(9-EtG)](ClO4)·nH2O (3, a = NH3, n = 2; 4, a = CH3NH2, n = 3). X-ray data for 4: monoclinic, C2/c, a = 23.296(5) Å, b = 10.566(2) Å, c = 22.327(4) Å, β = 93.73(3)°, Z = 8, R = 0.047. The metalated base triplet 2·(1-MeC) (1-MeC = 1-methylcytosine) has been detected in DMSO-d6 solution through 1H NMR spectroscopy, and an ab initio optimized structure of an analogous platinated base triplet has been obtained.</div><div type="abstract">Different X-ray crystal structures of trans-a2PtII (a = NH3 or CH3NH2) with 7,9-dimethylguanine (7,9-DimeG) and neutral or deprotonated 9-ethylguanine (9-EtGH) are reported. The compounds are discussed in terms of their possible model character for platinated nucleobase triplets of the pu × pu·pym (pu = purine, pym = pyrimidine) type. The metalated base triplet {trans-[(CH3NH2)2Pt(7,9-DimeG)(9-EtGH)]·(1-MeC)}2+ (1-MeC = 1-methylcytosine) has been detected in DMSO-d6 solution through 1H NMR spectroscopy, and an ab initio optimized structure of an analogous platinated base triplet has been obtained.</div></front></TEI><affiliations><list><country><li>États-Unis</li></country><region><li>New Jersey</li><li>Virginie</li></region></list><tree><country name="États-Unis"><region name="Virginie"><name sortKey="Sigel, Roland K O" sort="Sigel, Roland K O" uniqKey="Sigel R" first="Roland K. O." last="Sigel">Roland K. O. Sigel</name></region><name sortKey="Freisinger, Eva" sort="Freisinger, Eva" uniqKey="Freisinger E" first="Eva" last="Freisinger">Eva Freisinger</name><name sortKey="Lippert, Bernhard" sort="Lippert, Bernhard" uniqKey="Lippert B" first="Bernhard" last="Lippert">Bernhard Lippert</name><name sortKey="Mower, Amanda" sort="Mower, Amanda" uniqKey="Mower A" first="Amanda" last="Mower">Amanda Mower</name><name sortKey="Mower, Amanda" sort="Mower, Amanda" uniqKey="Mower A" first="Amanda" last="Mower">Amanda Mower</name><name sortKey="Sabat, Michal" sort="Sabat, Michal" uniqKey="Sabat M" first="Michal" last="Sabat">Michal Sabat</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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