Spectral Analysis of a 1,4-Thiazinamide FKBPs Ligand

doi:10.11938/cjmr20172602

Abstract

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.

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

CLC Number:

O482.53

JIANG Dan, WANG Wei, BI Qian-nan, SU Dan-dan. Spectral Analysis of a 1,4-Thiazinamide FKBPs Ligand[J]. Chinese Journal of Magnetic Resonance, 2018, 35(2): 204-214.

References

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