Menin-MLL inhibitor 20

• CAT Number: I044327
• CAS Number: 2448173-47-3
• Molecular Formula: C33H40N8O4
• Molecular Weight: 612.72
• Purity: ≥95%
• Synonyms: tert-butyl N-[(3R)-1-[[2-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]carbamoyl]pyridin-4-yl]methyl]piperidin-3-yl]carbamate
• InChI: InChI=1S/C33H40N8O4/c1-33(2,3)45-32(43)38-25-5-4-12-40(20-25)19-22-10-11-34-28(17-22)31(42)37-24-8-6-23(7-9-24)27-18-26-29(39-27)35-21-36-30(26)41-13-15-44-16-14-41/h6-11,17-18,21,25H,4-5,12-16,19-20H2,1-3H3,(H,37,42)(H,38,43)(H,35,36,39)/t25-/m1/s1
• InChIKey: MPFHTFMFYAODPE-RUZDIDTESA-N
• SMILES: CC(C)(C)OC(=O)NC1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6

Menin-MLL inhibitor 20 is an irreversible menin-MLL interaction inhibitor with antitumor activities (WO2020142557A1, Intermediate 6)[1].
The Histone-lysine N-methyltransferase 2 (KMT2) family of proteins, which currently consists of at least 5 members, methylate ly sine 4 on the histone H3 tails at important regulatory regions in the genome and thereby impart crucial functions through the modulation of chromatin structures and DNA accessibility. These enzymes are known to play an important role in the regulation of gene expression during early development and hematopoiesis. The human KMT2 family was initially named the mixed-lineage leukaemia (MLL) family, owing to the role of the first-found member in this disease[1].

Reference

[1]. Thomas Butler, et al. Irreversible inhibitors of menin-mll interaction. WO2020142557A1.