Cody V, Hazel J
J Med Chem. 1977 Jan;20(1):12-7. doi: 10.1021/jm00211a003.
The crystal and molecular structure of the ammonium hemihydrate salt of the fluorescent dye, 8-anilino-1-naphthalenesulfonic acid (ANS), has been determined. There are two conformationally distinct molecules in the triclinic P1 lattice. The anilino nitrogen of one molecule has slightly distorted planar geometry, and the overall conformation of the molecule is similar to that observed for the potassium salt of the fluorescent dye 2-p-toluidinyl-6-naphthalenesulfonic acid (TNS). The anilino nitrogen of the other molecule has slightly distorted tetrahedral geometry and the overall conformation of the molecule is similar to that observed for the thyroid hormones T3 and T4. The observation of two distinct conformational modifications of ANS in this crystal structure determination has shed light on the conformational flexibility of the ANS molecule itself and on the mode by which its acts as a competitive inhibitor in thyroid hormone transport proteins and as a signal for hydrophobic areas in macromolecular systems.
荧光染料8-苯胺基-1-萘磺酸（ANS）半水合铵盐的晶体和分子结构已被确定。在三斜晶系P1晶格中有两个构象不同的分子。其中一个分子的苯胺基氮具有略微扭曲的平面几何结构，该分子的整体构象与荧光染料2-对甲苯胺基-6-萘磺酸（TNS）钾盐所观察到的相似。另一个分子的苯胺基氮具有略微扭曲的四面体几何结构，该分子的整体构象与甲状腺激素T3和T4所观察到的相似。在此晶体结构测定中观察到ANS的两种不同构象修饰，这为ANS分子本身的构象灵活性以及其作为甲状腺激素转运蛋白中的竞争性抑制剂和大分子系统中疏水区域信号的作用方式提供了线索。
