ML385 is a novel, specific NRF2 inhibitor with an IC50 of 1.9 μM. It can inhibit the expression of NRF2 downstream target genes. NRF2 regulates the activity of various iron death and lipid peroxidation related proteins.

 

Brand: BCM

 

Target: Others; Ferroptosis; Nrf2

 

Signaling Pathways: Apoptosis; Cell Cycle/Checkpoint; Immunology/Inflammation; Others

 

In Vitro: ML385 can directly interact with NRF2 protein, which binds to the NEH1-binding region of NRF2, thereby preventing the binding of the NRF2-MAFG complex to the promoter ARE sequence and reducing transcriptional activity. In lung cancer cells, ML385 targets NRF2 signaling, selectively affecting the cell's colony-forming ability and growth, and NRF2 gains function.

 

pKa: 8.92±0.50(Predicted)

 

Solubility: Soluble in DMSO (warmed with 50ºC water bath). Insoluble in Water; insoluble in Ethanol.

 

GHS: GHS07

 

Isomeric SMILES: CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C  

 

InChIKey: LINHYWKZVCNAMQ-UHFFFAOYSA-N  

 

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)

 

Attribute
[Chem 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
[CAS No.]	846557-71-9
[MDL No.]	MFCD06616124
[Formula]	C29H25N3O4S
[Molecular]	511.59
[Form]	White to beige powder
[Storage]	Sealed in dry, 2-8°C
[Synonym]	ML385; ML-385

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