摘要
(3R)-4-[(4-甲基苯磺酰基)]-1,4-噻嗪-3-酰基-[(2R)-2-氨基-4-甲基]-戊酸异丙酯(代号:HD5-6),是一个拥有完全自主知识产权的FK506结合蛋白家族(FKBPs)配体,具有显著的促神经再生作用,有望在临床实现对神经退行性疾病和肌萎缩侧索硬化、脑卒中的有效治疗.本文采用多种核磁共振(NMR)技术,包括~1H NMR、^(13)C NMR、DEPT、1D NOESY、~1H-~1H COSY、~1H-^(13)C HSQC和~1H-^(13)C HMBC等,并结合质谱(MS)、紫外光谱(UV)和红外光谱(IR)等方法对此化合物进行解析,对其~1H和^(13)C NMR谱峰进行全归属,通过多种谱学技术确证了该化合物的化学结构.
（3R）-4-[（4-methylphenylsulfonyl）]-1,4-thiazine-3-acyl-[（2R）-2-amino-4-methyl]-pentanoic acid isopropyl ester（ID： HD5-6） is a ligand of FK506 binding proteins （FKBPs）, which we developed and had proprietary intellectual propertyrights for. The compound facilitates nerve regeneration, and can potentially developed in drugs for treatment ofneurodegenerative diseases such as amyotrophic lateral sclerosis and stroke. In this study, one-dimensional （1D） andtwo-dimensional nuclear magnetic resonance （NMR） spectroscopy （including 1H NMR, 13C NMR, DEPT, 1D NOESY,1H-1H COSY, 1H-13C HSQC and 1H-13C HMBC）, combined with mass spectrometry （MS）, ultraviolet spectroscopy （UV）and infrared spectroscopy （IR）, were used to elucidate the structure of the compound. All 1H and 13C NMR signals wereassigned.
作者
姜丹
王巍
毕倩楠
苏丹丹
JIANG Dan1,WANG Wei2,BI Qian-nan1,SU Dan-dan1(1. Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850, China; 2. The Affiliated Hospital ofChangchun University of TMC, Changchun 130021, Chin)
出处
《波谱学杂志》
CAS
CSCD
北大核心
2018年第2期204-214,共11页
Chinese Journal of Magnetic Resonance
基金
国家重大新药创制专项课题资助项目(2009ZX09103-024)
国家高新技术研究计划("863"计划)资助项目(2012AA020301)
