A-395 (hydrochloride)

A-395 is an inhibitor of the interaction between embryonic ectoderm development (EED) and histone H3 lysine 27 (H3K27) that binds to the EED subunit of polycomb repressor complex 2 (PRC2) and inhibits H3K27 methylation (Ki = 0.4 nM). It inhibits H3K27 di- and trimethylation in RD rhabdoid tumor cells (IC50s = 390 and 90 nM, respectively). In vivo, A-395 (200 mg/kg) reduces tumor volume and intratumor H3K27 trimethylation in a Pfeiffer diffuse large B cell lymphoma (DLBCL) mouse xenograft model.Formal Name: (3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)pyrrolidin-3-amine, hydrochloride. Molecular Formula: C26H35FN4O2S . XHCl. Formula Weight: 486.6. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: Water: soluble. lambdamax: 254 nm. SMILES: CS(N1CCN(C2=CC=C([C@H]3CN(C4CCC5=C4C(F)=CC=C5)C[C@@H]3N(C)C)C=C2)CC1)(=O)=O.Cl. InChi Code: InChI=1S/C26H35FN4O2S.ClH/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33,/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3,1H/t22-,24?,25+,/m1./s1. InChi Key: JUZXQLNCGDDSMJ-NNEMXYTISA-N.