Crystallographic study of PET radio-tracers in clinical evaluation for early diagnosis of Alzheimers

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 4;70(Pt 11):o1149-50. doi: 10.1107/S1600536814021400. eCollection 2014 Nov 1.

Abstract

The title compound, C24H25NO3·2CH3OH, which crystallized as a methanol disolvate, has applications as a PET radiotracer in the early diagnosis of Alzheimer's disease. The dihedral angle between the biphenyl rings is 8.2 (2)° and the heterocyclic ring adopts a half-chair conformation with the N atom adopting a pyramidal geometry (bond-angle sum = 327.6°). The C atoms of both meth-oxy groups lie close to the plane of their attached ring [deviations = 0.107 (6) and 0.031 (6) Å]. In the crystal, the components are linked by O-H⋯O and O-H⋯N hydrogen bonds, generating [010] chains. C-H⋯O inter-actions are also observed.

Keywords: P-glycoprotein inhibitor; PET radiotracer; crystal structure; hydrogen bonds; ligands.