For research use only. Not for therapeutic Use.
ML385 (Cat. No: I013677) is a novel, selective NRF2 inhibitor with IC50 of 1.9 μM. It can inhibit the expression of NRF2 downstream target genes. As a key protein, NRF2 can be involved in regulating the activity of various ferroptosis and lipid peroxidation-related proteins.
| Catalog Number | I013677 |
| CAS Number | 846557-71-9 |
| Molecular Formula | C₃₁H₂₉N₃O₂S |
| Purity | ≥95% |
| Target | Keap1-Nrf2 |
| Solubility | DMSO: ≥ 30 mg/mL |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide |
| InChI | InChI=1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33) |
| InChIKey | LINHYWKZVCNAMQ-UHFFFAOYSA-N |
| SMILES | CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C |
| Reference | [1]. Singh A, et al. Small Molecule Inhibitor of NRF2 Selectively Intervenes Therapeutic Resistance in KEAP1-Deficient NSCLC Tumors. ACS Chem Biol. 2016 Nov 18;11(11):3214-3225. |
