MM-589 TFA

• CAT Number: I046221
• CAS Number: 2253167-09-6
• Molecular Formula: C30H45F3N8O7
• Molecular Weight: 686.72
• Purity: ≥95%
• Synonyms: N-[(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-[(N’-methylcarbamimidoyl)amino]propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclotetradec-12-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C28H44N8O5.C2HF3O2/c1-6-19-23(38)35-21(18-11-8-7-9-12-18)25(40)31-16-14-28(4,36-22(37)17(2)3)26(41)34-20(24(39)33-19)13-10-15-32-27(29)30-5;3-2(4,5)1(6)7/h7-9,11-12,17,19-21H,6,10,13-16H2,1-5H3,(H,31,40)(H,33,39)(H,34,41)(H,35,38)(H,36,37)(H3,29,30,32);(H,6,7)/t19-,20-,21+,28+;/m0./s1
• InChIKey: NARXNZHWAWPJIY-HTCBAMNXSA-N
• SMILES: CCC1C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCCNC(=NC)N)(C)NC(=O)C(C)C)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

MM-589 TFA is a potent inhibitor of WD repeat domain 5 (WDR5) and mixed lineage leukemia (MLL) protein-protein interaction. MM-589 binds to WDR5 with an IC50 of 0.90 nM and inhibits the MLL H3K4 methyltransferase activity with an IC50 of 12.7 nM[1].
MM-589 (0.01-10 µM, 4 days or 7 days) potently and selectively inhibits cell growth in human leukemia cell lines harboring MLL translocations[1].

Reference

[1]. Karatas H, et al. Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J Med Chem. 2017 Jun 22;60(12):4818-4839.
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