pinometostat-epz5676

Description: Pinometostat (formerly EPZ 5676) is a potent and SAM (S-adenosyl methionine) competitive DOT1L protein methyltransferase (PMT) inhibitor with potential antitumor activity. It inhibits DOT1L with a Ki of 80 pM in a cell-free assay, and exhibits > 37, 000-fold higher selectivity for DOT1L over other PMTs. It exhibits excellent antiproliferative activity and high in vivo antitumor efficacy.

References: Blood. 2013 Aug 8; 122(6):1017-25.

EPZ 5676; Pinometostat; EPZ-5676; EPZ5676

Chemical Name: (2R, 3R, 4S, 5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r, 3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3, 4-diol

InChi Key: LXFOLMYKSYSZQS-LURJZOHASA-N

InChi Code: InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3, 4)5)12-21(20)36-23/h7-8, 12, 14-17, 19, 22, 25-26, 29, 39-40H, 6, 9-11, 13H2, 1-5H3, (H, 35, 36)(H2, 31, 32, 33)/t17-, 19+, 22-, 25-, 26-, 29-/m1/s1

SMILES Code: O[CH]1[CH](N2C=NC3=C(N)N=CN=C23)O[CH](CN([CH]4C[CH](CCC5=NC6=CC(C(C)(C)C)=CC=C6N5)C4)C(C)C)[CH]1O