Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, P. R. China.
Wuya College of Innovation, Shenyang Pharmaceutical University, Shenyang 110016, P. R. China.
Org Lett. 2020 Oct 2;22(19):7522-7525. doi: 10.1021/acs.orglett.0c02709. Epub 2020 Sep 16.
Two nonbiaryl axially chiral β-carboline-quinazoline dimers, pegaharmols A () and B (), were isolated from the roots of . Their planar structures were elucidated by the spectroscopic methods of high-resolution mass spectrometry and 1D and 2D nuclear magnetic resonance (NMR). The stereochemistry was established by a comparison between the experimental data of NMR and electronic circular dichroism and the computed data by quantum mechanical calculations. It is discovered for the first time that the β-carboline at the C-8 position is bonded to the vasicine at the C-9 position. exhibited moderate cytotoxic activity against HL-60 and A549 cell lines.
从 Peganum harmala 根部分离得到两个非联苯轴手性β-咔啉-喹唑啉二聚体 pegaharmols A () 和 B ()。通过高分辨质谱和 1D 和 2D 核磁共振 (NMR) 的光谱方法阐明了它们的平面结构。通过 NMR 和电子圆二色性的实验数据与量子力学计算得到的计算数据之间的比较，确定了立体化学。首次发现 C-8 位的 β-咔啉与 C-9 位的 vasicine 键合。 对 HL-60 和 A549 细胞系表现出中等的细胞毒性活性。
