CAJ | 학술논문

以盐酸安妥沙星为原料,通过脱HC1反应制备了安妥沙星游离碱,在乙腈-甲醇混合溶剂中培养出单晶,经单晶X衍射测得其晶体结构属于三斜晶系,空间群为P1,晶胞参数:a=0.663 07(13) nm,b=0.898 39(18)nm,c=1.5690(3) nm;α =75.12(3)°,β=87.92(3)°,γ=77.57(3)°.安妥沙星的溶液无荧光,但其晶体在360nm波长光激发下发射较强的绿光,最大发射波长位于510 nm,存在明显的聚集诱导荧光增强效应,表明晶体内分子间的堆积及其相互作用有效地提高了荧光量子产率.该研究为进一步探索安妥沙星的构效关系及同类结构新药的设计提供了重要的参考.
이염산안타사성위원료,통과탈HC1반응제비료안타사성유리감,재을정-갑순혼합용제중배양출단정,경단정X연사측득기정체결구속우삼사정계,공간군위P1,정포삼수:a=0.663 07(13) nm,b=0.898 39(18)nm,c=1.5690(3) nm;α =75.12(3)°,β=87.92(3)°,γ=77.57(3)°.안타사성적용액무형광,단기정체재360nm파장광격발하발사교강적록광,최대발사파장위우510 nm,존재명현적취집유도형광증강효응,표명정체내분자간적퇴적급기상호작용유효지제고료형광양자산솔.해연구위진일보탐색안타사성적구효관계급동류결구신약적설계제공료중요적삼고.
Antofloxacin free base is prepared from antofloxacin hydrochloride by removing hydrogen chloride. Its crystal is obtained by slow evaporation of an acetonitrile-methanol mixed solution. Single-crystal X-ray diffraction reveals that the crystallography belongs to a triclinic Pl space group with cell parameters:a =0.663 07(13) nm,b =0.898 39(18) nm,c =1.569 0(3) nm,α =75.12(3)°,3=87.92(3)°,γ=77.57(3)°.Antofloxacin shows no fluorescence in solution,but the crystalline state emits strong green light at 510 nm under the excitation of 360 nm,indicating a fluorescence enhancement induced by aggregation. It demonstrates that intermolecular packing and interaction in the crystal lead to the improved fluorescence quantum yield. These results provide important information for the further exploration of the structure-activity relationship of antofloxacin and the development of new drugs.