Reorientational dynamics and internal mobility of the mixed agonist-antagonist opioid narcotic cyclazocine by13C NMR relaxation times

作者: Domenica Carbone , Antonio Grassi , Giuseppe C. Pappalardo , Lajos Radics

DOI: 10.1002/MRC.1260310906

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摘要: The motional behaviour of the mixed agonist-antagonist opioid narcotic cyclazocine (2-cyclopropylmethyl-2′-hydroxy-5,9-dimethyl-6,7-benzomorphan) as a cationic species (CLZH +) was analysed by 13C NMR spin–lattice relaxation times (T1). Both AM1 and MM2 theoretical calculations were performed to predict preferred conformations torsional energetics CLZH+ in vapour phase. analysis experimental T1 data (in aqueous solution) using an analytical model describe overall internal motions molecule. best fit allowed detection, liquid phase, effective solute-solvent interactions fully anisotropic diffusive process parameters obtained indicated increased retational anisotropy on passing from gas phase solution state. Different activation energies arising separate solvation effects found for motion 10-Me 11-Me groups. fitted transition matrix relative N-cyclopropylmethyl group that conformational states are not isolated same order magnitude.

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