MM-401 TFA

• CAT Number: I042564
• CAS Number: 1442106-11-7
• Molecular Formula: C31H47F3N8O7
• Molecular Weight: 700.75
• Purity: ≥95%
• Synonyms: N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C29H46N8O5.C2HF3O2/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31;3-2(4,5)1(6)7/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33);(H,6,7)/t20-,21-,22+,29+;/m0./s1
• InChIKey: UCPNHHHBFDAYBP-HXXCMCGZSA-N
• SMILES: CCC1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN=C(N)N)(C)NC(=O)C(C)C)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

MM-401 (TFA) is a MLL1 H3K4 methyltransferase inhibitor. MM-401 inhibits MLL1 activity (IC50 = 0.32 µM) by blocking MLL1-WDR5 interaction. MM-401 can induce cell cycle arrest, apoptosis and differentiation. MM-401 can be used for the research of MLL leukemia[1].
MM-401 maintains high binding affinity to WDR5 with a Ki value of < 1 nM and disrupts WDR5-MLL1 interaction with an IC50 value of 0.9 nM[1]. MM-401 is able to specifically inhibit MLL1 activity (IC50 value of 0.32µM) by blocking MLL1-WDR5 interaction and thus the complex assembly[1]. MM-401 (20 μM; 48 h) specifically inhibits MLL1-dependent H3K4 methylation in cells[1]. MM-401 induces similar changes in MLL-AF9 transcriptome as the MLL1 deletion[1]. MM-401 (10, 20, 40 μM; 48 h) specifically inhibits growth of MLL leukemia cells by inducing cell cycle arrest, apoptosis[1].

Reference

[1]. Fang Cao, et al. Targeting MLL1 H3K4 methyltransferase activity in mixed-lineage leukemia. Mol Cell. 2014 Jan 23;53(2):247-61.
 [Content Brief]