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Titolo:
CRYSTAL AND MOLECULAR-STRUCTURES OF 2 ADENOSINE RECEPTOR LIGANDS - 1,3-DIMETHYLXANTHINE-7-RIBOSIDE MONOHYDRATE (DMX-7R), A PARTIAL A(1) AGONIST, AND -2-(FURYL)[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE METHANE SULFONATE (CGS-15943), A SELECTIVE A(2A) ANTAGONIST
Autore:
DALPIAZ A; BERTOLASI V; FERRETTI V; BOREA PA;
Indirizzi:
UNIV FERRARA,DIPARTMENTO CHIM,VIA BORSARI 46 I-44100 FERRARA ITALY UNIV FERRARA,DIPARTMENTO CHIM I-44100 FERRARA ITALY UNIV FERRARA,CTR STRUTTURIST DIFFRATTOMETR I-44100 FERRARA ITALY UNIV FERRARA,IST FARMACOL I-44100 FERRARA ITALY
Titolo Testata:
Journal of chemical crystallography
fascicolo: 1, volume: 27, anno: 1997,
pagine: 59 - 65
SICI:
1074-1542(1997)27:1<59:CAMO2A>2.0.ZU;2-4
Fonte:
ISI
Lingua:
ENG
Soggetto:
NUCLEOSIDES; CONFORMATION; PARAMETERS; DEAMINASE; ANALOGS;
Keywords:
X-RAY CRYSTAL STRUCTURES; ADENOSINE RECEPTOR LIGANDS; DIMETHYLXANTHINE-7-RIBOSIDE; TRIAZOLOQUINAZOLINE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
40
Recensione:
Indirizzi per estratti:
Citazione:
A. Dalpiaz et al., "CRYSTAL AND MOLECULAR-STRUCTURES OF 2 ADENOSINE RECEPTOR LIGANDS - 1,3-DIMETHYLXANTHINE-7-RIBOSIDE MONOHYDRATE (DMX-7R), A PARTIAL A(1) AGONIST, AND -2-(FURYL)[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE METHANE SULFONATE (CGS-15943), A SELECTIVE A(2A) ANTAGONIST", Journal of chemical crystallography, 27(1), 1997, pp. 59-65

Abstract

The structures of two adenosine receptor ligands were determined fromsingle-crystal X-ray diffraction analysis: DMX-7R, 1,3-dimethylxanthine-7-riboside monohydrate, monoclinic P2(1),, a = 4.633(2), b = 6.755(1), c = 22.921(3) Angstrom, beta = 92.11(3)degrees, final R = 0.034 for 1441 observed reflections; CGS 15943, -(2-furyl)[1,2,4]triazolo[1.5-c]quinazolin-5-amine methane sulfonate, monoclinic, P2(1)/n, a = 7.887(3), b = 10.014(2), c = 20.601(5) Angstrom, beta 95.36(3)degrees, final R = 0.059 for 2150 observed reflections. DMX-7R, a partial A(1) agonist, is a nucleoside which displays an anti conformation around the glycosidic bond and a T-3(2) conformation of the ribose ring. Extensive hydrogen bonds are observed which include all the hydroxyl groups of the ribose, a water molecule and the sp(2) hybridized N9 atom. CGS 15943 is a selective A(2a) antagonist. Its structure presents some analogies with that of adenine. The lack of the ribose ring is a necessary condition for antagonistic activity, while the furane substituent and the fused chlorophenyl ring act as modulators of the A(2) selectivity. The molecule, roughly planar, is protonated at the imino nitrogen of the pyrimidine ring and forms strong hydrogen bonds with two oxygens of the methane sulfonate ion.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 27/11/20 alle ore 02:30:18