FK228 [systematic name: (1S,4S,7Z,10S,16E,21R)-7-ethyl-idene-4,21- di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetra-za - bicyclo[8.7.6]tricos-16- ene-3,6,9,19,22-pentone], C24H36N4O 6S2, also known as FR901228, depsipeptide, NSC 630176, romidepsin, and marketed as Istodax by Celgene Corporation, is crystallized from ethyl acetate in P21 as compared to the absolute configuration of FK228, first crystallized from methanol in P21212 1 [Shigematsu et al. (1994). J. Anti-biot. 47, 311-314]. A slight difference is observed between the absolute configuration of FK228 and the present structure. The molecular structure is stabilized by intramolecular N - H⋯O hydrogen bonds. In the crystal, molecules are linked via N - H⋯O hydrogen bonds.
|Journal||Acta Crystallographica Section E: Structure Reports Online|
|State||Published - Sep 2012|