SML2561

ML162

≥98% (HPLC)

• Synonym(s): α-[(2-Chloroacetyl)(3-chloro-4-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thiopheneacetamide, 2-Chloro-N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-(phenethylamino)-1-(thiophen-2-yl)ethyl)acetamide, BRD-5421, BRD5421, CID 3689413, ML 162, ML-162, Molecular Libraries 162
• Empirical Formula (Hill Notation): C₂₃H₂₂Cl₂N₂O₃S
• CAS Number: 1035072-16-2
• Molecular Weight: 477.40
• MDL number: MFCD03450805
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• color: white to very dark brown
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: [s]1c(ccc1)C(N(c3cc(c(cc3)OC)Cl)C(=O)CCl)C(=O)NCCc2ccccc2
• InChI: 1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
• InChI key: UNVKYJSNMVDZJE-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Covalent phospholipid glutathione peroxidase (GPX4; GSHPx-4; PHGPx; snGPx; snPHGPx) inhibitor that induces ferroptosis.

ML162 is a small molecule that induces ferroptosis via covalent inhibition of cellular phospholipid glutathione peroxidase (GPX-4; GPX4; GSHPx-4; PHGPx; snGPx; snPHGPx). Synthetic lethality studies in cancer cultures identify contributing factors such as HRas(G12V) expression and fumarate hydratase (FH) deletion to ML162 sensitivity (IC50 = 25 nM & 35 nM, respectively, in BJeLR-HRas(G12V) & UOK262-FH-/- cultures).

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable