Trávníček, Zdeněk; Zatloukal, Marek
ACTA CRYSTALLOGRAPHICA
60 [5]:
924-926,
2004
Klíčová slova:
X-RAY-STRUCTURE; ESTROGEN SULFOTRANSFERASE; INHIBITORS
Abstrakt:
The title compound, C22H30N6O, is a potent inhibitor of estrogen sulfotransferase which catalyses the transfer of a sulfuryl group from 3'-phosphoadenosine 5'-phosphosulfate to estrogen and estrogen-like compounds. The pyrimidine plane forms dihedral angles of 81.53 (4) and 2.99 (4)degrees with the benzene and imidazole rings, respectively. The crystal structure is stabilized by N-H...N hydrogen bonds connecting two adjacent molecules, thus forming centrosymmetric dimers, the N...N distance being 3.0403 (16) Angstrom.
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