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Identification of a probable new adrenergic agonist by nuclear magnetic resonance and mass spectrometry

Boatto, Gianpiero and Culeddu, Nicola and Testa, Cecilia and Neri, Bruno and Brambilla, Gianfranco and Barbosa, Jorge Luiz and Cruz, Clara (2007) Identification of a probable new adrenergic agonist by nuclear magnetic resonance and mass spectrometry. Analytica Chimica Acta, Vol. 586 (1-2), p. 223-227. ISSN 0003-2670. Article.

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DOI: 10.1016/j.aca.2006.09.045


In animal production, it is consolidated the synthesis and the illegal use of growth promoters of new generation, able to skip routine screening and confirmatory analysis. In this work it is reported the nuclear magnetic resonance (NMR) and the mass spectrometry identification of a probable new adrenergic drug found in a feed premix. The substance was selectively purified on alpha 1 acid glycoprotein affinity columns; then its structure was first achieved by recording the 13C NMR spectrum that gave the total number of carbons of the molecule, successively sorted by DEPT experiments into quaternary, CH, CH2, and CH3 groups. However, the complete assignments of all resonances were derived from the bi-dimensional analysis and the crucial indications from the 1H-13C reverse experiments. Further characterisation was performed by atmospheric pressure chemical ionisation both in positive and negative ion mode, matching the molecular ion and the fragmentation pattern with those of most recently described new adrenergic agonists. After the loss of a ter-butylic group, the structure shows an internal symmetry along with the presence of Chlorine clusters. The proposed formula of the compound, the 8,8′-diamino-9,9′-dichloro-1-terbutyl-1,1′,4,4-tetrahydro-5H,5′H-2,2′-bi-1-benzazepine-5,5′-dione, partially resembles that of Zilpaterol for the presence of a heterocyclic ring; Further work is in progress to characterise the structure-activity relationship.

Item Type:Article
ID Code:4460
Uncontrolled Keywords:Adrenergic agonist, mass spectrometry, nuclear magnetic resonance
Subjects:Area 03 - Scienze chimiche > CHIM/08 Chimica farmaceutica
Divisions:002 Altri enti e centri di ricerca del Nord Sardegna > Istituto zooprofilattico sperimentale della Sardegna, Sassari
001 Università di Sassari > 01 Dipartimenti > Farmaco, chimico, tossicologico
002 Altri enti e centri di ricerca del Nord Sardegna > CNR-Consiglio Nazionale delle Ricerche > Istituto di chimica biomolecolare, Sassari
Copyright Holders:© 2006 Elsevier
Additional Information:Paper presented at the 5th International Symposium on Hormone and Veterinary drug Residue Analysis, Antwerp, Belgium, 16-19 May 2006, edited by Carlos Van Peteghem and Alan Townshend, School of Chemistry, The University, Hull, UK.
Deposited On:01 Sep 2010 15:12

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