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], C 24 H 36 N 4 O 6 S 2 , also known as FR901228, depsipeptide, NSC 630176, romidepsin, and marketed as Istodax by Celgene Corporation, is crystallized from ethyl acetate in P2 1 as compared to the absolute configuration of FK228, first crystallized from methanol in P2 1 2 1 2 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 - 1 Sep 2012|