X-ray structure, NMR and stability-in-solution study of 6-(furfurylamino)-9-(tetrahydropyran-2-yl)purine - A new active compound for cosmetology
2010
Abstract
The crystal and molecular structure of 6-(furfurylamino)-9-(tetrahydropyran-2-yl)purine (1) was determined at 150(2) K. The compound crystallizes in monoclinic P2(1)/c space group with a = 10.5642(2), = 13.6174(3), c = 10.3742(2) angstrom, V = 1460.78(5) angstrom(3), Z = 4, R(F) = for 3344 unique reflections.
The purine moiety and furfuryl ring are planar and the tetrahydropyran-2-yl is disordered in the ratio 1:3, probably due to the chiral carbon atom C(17). The individual H-1 and C-13 NMR signals were assigned by 20 correlation experiments such as H-1-H-1 COSY and ge-2D HSQC.
Stability-in-solution was determined in methanol/water in acidic pH (3-7).