Volume 60, Issue 5 pp. o924-o926

N-[2-(Azepan-1-yl)-9-iso­propyl-9H-purin-6-yl]-4-methoxy­benzyl­amine

First published: 14 May 2004
Zdeněk Trávníček, e-mail: [email protected]

Abstract

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)° 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) Å.

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