PACMA 31

PACMA 31 is an irreversible inhibitor of protein disulfide isomerase (PDI, IC50 = 10 µM), an endoplasmic reticulum chaperone protein that catalyzes disulfide bond breakage, formation, and rearrangement. It inhibits PDI chaperone activity in a concentration- and time-dependent manner in an insulin aggregation assay and is cytotoxic to OVCAR-8 and OVCAR-3 ovarian cancer cells (IC50s = 0.9 and 0.32 µM, respectively). PACMA 31 binds to GPX4 and induces ferroptosis in OVCAR-8 and HT-1080 fibrosarcoma cells. It also reduces tumor growth in an OVCAR-8 mouse xenograft model.Formal Name: N-(2,4-dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine, ethyl ester. CAS Number: 1401089-31-3. Molecular Formula: C21H22N2O6S. Formula Weight: 430.5. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: 100 mM. SMILES: O=C(N(C(C1=CC=CS1)C(NCC(OCC)=O)=O)C2=CC=C(C=C2OC)OC)C#C. InChi Code: InChI=1S/C21H22N2O6S/c1-5-18(24)23(15-10-9-14(27-3)12-16(15)28-4)20(17-8-7-11-30-17)21(26)22-13-19(25)29-6-2/h1,7-12,20H,6,13H2,2-4H3,(H,22,26). InChi Key: AHOOZADJPNUFOQ-UHFFFAOYSA-N.