WDR5-IN-1

• CAT Number: I016900
• CAS Number: 2408842-51-1
• Molecular Formula: C₃₀H₃₁FN₄O₃
• Molecular Weight: 514.59
• Purity: ≥95%
• Storage: Store at -20°C
• IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-7-[(2-imino-3-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
• InChI: InChI=1S/C30H31FN4O3/c1-19-11-22(31)5-6-25(19)27-14-21(18-35-10-9-33(2)30(35)32)15-28-26(27)7-8-34(29(28)36)17-20-12-23(37-3)16-24(13-20)38-4/h5-6,9-16,32H,7-8,17-18H2,1-4H3
• InChIKey: PKONCIPMLLIAIL-UHFFFAOYSA-N
• SMILES: CC1=C(C=CC(=C1)F)C2=C3CCN(C(=O)C3=CC(=C2)CN4C=CN(C4=N)C)CC5=CC(=CC(=C5)OC)OC

WDR5-IN-1（Cat No.:I016900）is a selective inhibitor of WDR5, a key component of the MLL (Mixed-Lineage Leukemia) protein complex involved in histone methylation and gene regulation. By disrupting WDR5 interactions, WDR5-IN-1 alters the epigenetic landscape, leading to the inhibition of oncogenic gene expression associated with various cancers. This compound has demonstrated significant anti-cancer activity in preclinical studies, particularly in leukemia and solid tumors driven by MLL-rearrangements. WDR5-IN-1’s unique mechanism of action positions it as a valuable tool for investigating the role of WDR5 in cancer biology and developing targeted therapies.

Reference

[1]. Tian J, et al.Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.J Med Chem. 2020 Jan 23;63(2):656-675.