一种1,4-噻嗪酰胺类FKBPs配体的波谱学数据解析

（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、¹³C NMR、DEPT、1D NOESY、¹H-¹H COSY、¹H-¹³C HSQC和¹H-¹³C 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¹³C 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.

Spectral Analysis of a 1,4-Thiazinamide FKBPs Ligand

(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 property rights for. The compound facilitates nerve regeneration, and can potentially developed in drugs for treatment of neurodegenerative diseases such as amyotrophic lateral sclerosis and stroke. In this study, one-dimensional (1D) and two-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 were assigned.