Spectral Analysis of a 1,4-Thiazinamide FKBPs Ligand

Abstract

(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.

Keywords

• nuclear magnetic resonance (NMR)
• structural elucidation
• thiazine amide derivatives
• FKBPs ligands
• infrared spectroscopy (IR)
• mass spectrometry (MS)
• ultraviolet spectroscopy (UV)