WDR5-IN-1 (Cat No.:I016900) is a small molecule inhibitor that targets WD repeat-containing protein 5 (WDR5), which is involved in regulating gene expression through histone methylation. WDR5-IN-1 suppresses cell proliferation and induces apoptosis in cancer cells by disrupting the interaction between WDR5 and mixed-lineage leukemia (MLL) histone methyltransferase complex.
| Catalog Number | I016900 |
| CAS Number | 2408842-51-1 |
| Molecular Formula | C₃₀H₃₁FN₄O₃ |
| 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 |
| 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. |
