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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid
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Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid

机译：神经活性抑制剂蛋白酸的互变异构多态性

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摘要

Kynurenic acid (KYN; systematic name: 4‐hydroxyquinoline‐2‐carboxylic acid, C 10 H 7 NO 3 ) displays a therapeutic effect in the treatment of some neurological diseases and is used as a broad‐spectrum neuroprotective agent. However, it is understudied with respect to its solid‐state chemistry and only one crystal form (α‐KYN·H 2 O) has been reported up to now. Therefore, an attempt to synthesize alternative solid‐state forms of KYN was undertaken and six new species were obtained: five solvates and one salt. One of them is a new polymorph, β‐KYN·H 2 O, of the already known KYN monohydrate. All crystal species were further studied by single‐crystal and powder X‐ray diffraction, thermal and spectroscopic methods. In addition to the above methods, differential scanning calorimetry (DSC), in‐situ variable‐temperature powder X‐ray diffraction and Raman microscopy were applied to characterize the phase behaviour of the new forms. All the compounds display a zwitterionic form of KYN and two different enol–keto tautomers are observed depending on the crystallization solvent used.
机译：鸡蛋酸（Kyn;系统名称：4-羟基喹啉-2-羧酸，C 10 H 7 NO 3）在治疗某些神经系统疾病中显示治疗效果，并用作广谱神经保护剂。然而，对其固态化学和仅据报道，目前仅报告一种晶状体形式（α-Knyn·H 2 O）。因此，进行了合成替代固态形式的kyn的尝试，并获得了六种新物种：五种溶剂化物和一种盐。其中一个是已知的kyn单水合物的新多晶型β-kyn·h 2 O.通过单晶和粉末X射线衍射，热和光谱方法进一步研究所有晶体物种。除了上述方法外，差示扫描量热法（DSC），原位可变温度粉线X射线衍射和拉曼显微镜被应用于表征新形式的相位行为。所有化合物显示出kyn的两性离子形式，并且根据所用的结晶溶剂观察到两种不同的烯醇 - 酮互变异构体。

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