Ferroptocide

Ferroptocide is an inhibitor of thioredoxin (Trx) and a derivative of pleuromutilin (Cay-19452). It inhibits Trx activity in ES-2 ovarian cancer cells when used at a concentration of 20 µM and is cytotoxic to ES-2 cells (IC50 = 1.6 µM). Ferroptocide (5 µM) induces ferroptosis in ES-2 cells, an effect that can be blocked by the iron chelator deferoxamine (DFO, Cay-14595), antioxidant Trolox (Cay-10011659), or ferroptosis inhibitor ferrostatin-1 (Cay-17729). It decreases tumor volume in a 4T1 murine mammary carcinoma model using immunocompetent but not immunodeficient mice when administered at 50 mg/kg twice per week.Formal Name: (2S,3aS,4S,5R,7R,8S,8aS,9R)-octahydro-2,8a-dihydroxy-4,8,9-trimethyl-1-oxo-5-(2,3,5,8-tetrahydro-1,3-dioxo-2-phenyl-1H-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-1H-3a,8-propanoazulen-7-yl ester, 2-chloro-acetic acid. CAS Number: 2505218-38-0. Molecular Formula: C30H36ClN3O7. Formula Weight: 586.1. Purity: >90%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Soluble, Methanol: Soluble. SMILES: O=C(N1CC([C@H](C[C@@H](OC(CCl)=O)[C@]23C)[C@@H]([C@@]([C@]3(C([C@H]4O)=O)O)(C4)CC[C@H]2C)C)=CCN15)N(C6=CC=CC=C6)C5=O. InChi Code: InChI=1S/C30H36ClN3O7/c1-17-9-11-29-14-22(35)25(37)30(29,40)28(17,3)23(41-24(36)15-31)13-21(18(29)2)19-10-12-32-26(38)34(27(39)33(32)16-19)20-7-5-4-6-8-20/h4-8,10,17-18,21-23,35,40H,9,11-16H2,1-3H3/t17-,18+,21-,22+,23-,28+,29+,30-/m1/s1. InChi Key: LLYJISDUHFXOHK-GOCONZMPSA-N.