Multinuclear ¹H/¹³C/¹⁵N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance.

ABSTRACT: Octreotide acetate, the active pharmaceutical ingredient in the long-acting release (LAR) drug product Sandostatin®, is a cyclic octapeptide that mimics the naturally occurring somatostatin peptide hormone. Modern NMR can be a robust analytical method to identify and quantify octreotide molecules. Previous ¹H chemical shift assignments were mostly performed in organic solvents, and no assignments for heteronuclear ¹³C, ¹⁵N, and aromatic ¹H nuclei are available. Here, using state-of-the-art 1D and 2D homo- and heteronuclear NMR experiments, octreotide was fully assigned, including water exchangeable amide protons, in aqueous buffer except for ¹³CO and ¹⁵NH of F1, ¹⁵NH of C2, and ¹⁵NζHζ of K5 that were no

SUBMITTER: Menke AJ 

PROVIDER: S-EPMC12410151 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature