WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406730
Description: WDR5-0103 is a small molecule that binds a peptide-binding pocket on WDR5 (Kd = 450 nM), inhibiting the catalytic activity of the MLL core complex in vitro (IC50 = 39 µM). WD repeat domain 5 (WDR5) plays an important role in various biological functions through the epigenetic regulation of gene transcription. WDR5 may have oncogenic effect and WDR5-mediated H3K4 methylation plays an important role in leukemogenesis.
MedKoo Cat#: 406730
Chemical Formula: C21H25N3O4
Exact Mass: 383.1845
Molecular Weight: 383.448
Elemental Analysis: C, 65.78; H, 6.57; N, 10.96; O, 16.69
Synonym: WDR5-0103; WDR 5-0103; WDR-5-0103; WDR50103; WDR-50103; WDR 50103; WD-Repeat Protein 5-0103.
IUPAC/Chemical Name: methyl 3-(3-methoxybenzamido)-4-(4-methylpiperazin-1-yl)benzoate
InChi Key: ZPLBXOVTSNRBFB-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H25N3O4/c1-23-9-11-24(12-10-23)19-8-7-16(21(26)28-3)14-18(19)22-20(25)15-5-4-6-17(13-15)27-2/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
SMILES Code: O=C(OC)C1=CC(NC(C2=CC=CC(OC)=C2)=O)=C(N3CCN(C)CC3)C=C1
1: Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK. Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem. 2016 Nov 15;24(22):6109-6118. doi: 10.1016/j.bmc.2016.09.073. Epub 2016 Oct 1. PubMed PMID: 27720555.