For research use only. Not for therapeutic Use.
AS-85 is a potent ASH1L histone methyltransferase inhibitor (IC50=0.6 µM) with anti-leukemic activity. AS-85 strongly binds to the ASH1L SET domain, with the Kd value of 0.78 µM[1].
AS-85 inhibits the growth of leukemia cells (MV4;11, MOLM13, and KOPN8) harboring different MLL1 translocations, with GI50 values ranging from 5 µM to 25 µM, and demonstrates no effect in K562 leukemia cells without MLL1 translocations[1].
| Catalog Number | I045287 |
| CAS Number | 2323623-80-7 |
| Synonyms | N-[[3-(3-carbamothioylphenyl)-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-6-yl]methyl]azetidine-3-carboxamide |
| Molecular Formula | C26H28F3N5O3S2 |
| Purity | ≥95% |
| InChI | InChI=1S/C26H28F3N5O3S2/c27-26(28,29)39(36,37)33-8-6-20(7-9-33)34-15-22(17-2-1-3-18(11-17)24(30)38)21-5-4-16(10-23(21)34)12-32-25(35)19-13-31-14-19/h1-5,10-11,15,19-20,31H,6-9,12-14H2,(H2,30,38)(H,32,35) |
| InChIKey | WDQKQCWRQIVDBA-UHFFFAOYSA-N |
| SMILES | C1CN(CCC1N2C=C(C3=C2C=C(C=C3)CNC(=O)C4CNC4)C5=CC(=CC=C5)C(=S)N)S(=O)(=O)C(F)(F)F |
| Reference | [1]. David S. Rogawski, Jing Deng, Hao Li, Tomasz Cierpicki, Jolanta Grembecka, et al. Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity. Nat Commun. 2021 May 14;12(1):2792. |
