X 射线粉末衍射法测定药物研究化合物的绝对构型。
Absolute Configuration of Pharmaceutical Research Compounds Determined by X-ray Powder Diffraction.
机构信息
Goethe-Universität, Institut für Anorganische und Analytische Chemie, Max-von-Laue-Str. 7, 60438, Frankfurt am Main, Germany.
Merck KGaA, Site-Operations-Analytics Healthcare, Frankfurter Landstr. 250, 64293, Darmstadt, Germany.
出版信息
Angew Chem Int Ed Engl. 2018 Jul 16;57(29):9150-9153. doi: 10.1002/anie.201713168. Epub 2018 Jun 19.
The absolute configuration of active pharmaceutical ingredients (APIs) was determined by generating salts of the active pharmaceutical ingredient (API) with counterions of known chirality, and determining the crystal structures by X-ray powder diffraction. This approach avoids the (often tedious) growth of single crystals, and is successful with very limited quantities of material (less than 1 mg). The feasibility of the method is demonstrated on five examples, and its limitations are discussed as well.
通过生成具有已知手性的抗衡离子的活性药物成分 (API) 盐，并通过 X 射线粉末衍射确定晶体结构，确定活性药物成分 (API) 的绝对构型。这种方法避免了（通常很繁琐的）单晶生长，并且在非常有限的材料量（少于 1mg）下也能成功。该方法在五个实例中得到了验证，并讨论了其局限性。
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