2'-脱氧-7-丙炔基-7-脱氮腺苷：一种能稳定DNA双链的核苷。
2'-Deoxy-7-propynyl-7-deazaadenosine: a DNA duplex-stabilizing nucleoside.
作者信息
Seela Frank, Shaikh Khalil I, Budow Simone, Eickmeier Henning
机构信息
Laboratorium für Organische und Bioorganische Chemie, Institut für Chemie, Universität Osnabrück, Barbarastrasse 7, 49069 Osnabrück, Germany.
出版信息
Acta Crystallogr C. 2006 May;62(Pt 5):o246-8. doi: 10.1107/S0108270106008870. Epub 2006 Apr 13.
In the title compound, 2'-deoxy-7-propynyl-7-deazaadenosine, C14H16N4O3, the torsion angle of the N-glycosylic bond is anti [chi = -130.7 (2) degrees ]. The sugar pucker of the 2'-deoxyribofuranosyl moiety is C2'-endo-C3'-exo, 2T3 (S-type), with P = 185.9 (2) degrees and tau(m) = 39.1 (1) degrees , and the orientation of the exocyclic C4'-C5' bond is -ap (trans). The 7-substituted propynyl group is nearly coplanar with the heterocyclic base moiety. Molecules of the nucleoside form a layered network in which the heterocyclic bases are stacked head-to-tail with a closest distance of 3.197 (1) A. The crystal structure of the nucleoside is stabilized by three intermolecular hydrogen bonds of types N-H... O, O-H... N and O-H... O.
在标题化合物2'-脱氧-7-丙炔基-7-脱氮腺苷（C₁₄H₁₆N₄O₃）中，N-糖苷键的扭转角为反式[χ = -130.7 (2)°]。2'-脱氧核糖呋喃糖部分的糖环构象为C2'-内-C3'-外，2T3（S型），P = 185.9 (2)°，τm = 39.1 (1)°，环外C4'-C5'键的取向为-ap（反式）。7-取代的丙炔基与杂环碱基部分几乎共面。核苷分子形成层状网络，其中杂环碱基头对头堆积，最近距离为3.197 (1) Å。该核苷的晶体结构通过三种分子间氢键N-H...O、O-H...N和O-H...O得以稳定。
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