核酸嵌入药物。一水合氯化9-羟基-2,5,11-四甲基吡啶并[4,3-b]咔唑鎓（9-羟基-2,6-二甲基玫瑰树碱）的结构。
Nucleic acid intercalating drug. The structure of 9-hydroxy-2,5,11- tetramethylpyrido[4,3-b]carbazolium (9-hydroxy-2,6- dimethylellipticinium) chloride monohydrate.
作者信息
Salahou A, Courseille C, Tsai C C
机构信息
Laboratoire de Cristallographie et de Physique Cristalline (UA 144 CNRS), Université de Bordeaux I, France.
出版信息
Acta Crystallogr C. 1988 Dec 15;44 ( Pt 12):2126-8. doi: 10.1107/s0108270188006961.
C19H19N2O.Cl. H2O, Mr = 344.6, triclinic, P1, alpha = 12.980 (1), b = 9.454 (2), c = 7.148 (1) A, alpha = 75.23 (2), beta = 99.73 (3), gamma = 91.83 (2) degree, V = 835.9 A3, Z = 2, Dm = 1.35 (2), Dx = 1.369 Mg m-3, lambda (Cu Ka) = 1.54178 A, mu = 2.11 mm-1, F(000) = 364, T 298 k, R 0.059 for 2767 observed reflections. Antitumour drug that displays one of the highest DNA affinities (4 x 10(6) M 1) among ellipticine derivatives. The structure analysis confirms the intercalation hypothesis. There is stacking of centrosymmetrically related parallel molecules along c, alternately spaced by 3.43 and 3.48 A. The crystal structure confirms the desolvation effect of the sixth nitrogen position.
C19H19N2O·Cl·H2O，Mr = 344.6，三斜晶系，P1，α = 12.980(1)，b = 9.454(2)，c = 7.148(1)Å，α = 75.23(2)°，β = 99.73(3)°，γ = 91.83(2)°，V = 835.9 ų，Z = 2，Dm = 1.35(2)，Dx = 1.369 Mg m⁻³，λ(Cu Kα) = 1.54178 Å，μ = 2.11 mm⁻¹，F(000) = 364，T = 298 K，对2767个观测反射的R = 0.059。在玫瑰树碱衍生物中显示出最高DNA亲和力(4×10⁶ M⁻¹)之一的抗肿瘤药物。结构分析证实了嵌入假说。沿c轴存在中心对称相关的平行分子堆积，间隔交替为3.43和3.48 Å。晶体结构证实了第六个氮位置的去溶剂化效应。
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