Deferasirox

Deferasirox is an orally bioavailable synthetic, tridentate iron chelator that binds iron at a 2:1 ratio. It is selective for iron (Fe(III)) over Cu(II), Zn(II), Mg(II), and Ca(II) but does bind to Al(III). Deferasirox decreases iron levels in iron-loaded rat heart cells in vitro by 45.8 and 55.6% compared to control levels when used at concentrations of 160 and 320 µM, respectively. In hypertransfused rats, deferasirox (200 mg/kg) decreases radiolabeled liver iron levels from 41 to 21.7% and blood iron levels from 8.2 to 3.4%. It is primarily excreted via the fecal route, in contrast to the iron chelator deferoxamine (Cay-14595). Deferasirox also inhibits proliferation of SAS human oral squamous carcinoma cells (EC50 = 21 µM), decreases cyclin D1 protein levels, and increases protein levels of N-Myc downregulated gene 1 (NDRG1) and NDRG3. It acts in a synergistic manner when used in combination with gemcitabine (Cay-11690, Cay-9003096) to reduce proliferation of BxPC-3 pancreatic cancer cells in vitro and reduce tumor growth in a BxPC-3 mouse xenograft model when administered at a dose of 200 mg/kg. Formulations containing deferasirox have been used in the treatment of beta-thalassemia and chronic iron overload.Formal Name: 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-benzoic acid. CAS Number: 201530-41-8. Synonyms: ICL670A. Molecular Formula: C21H15N3O4. Formula Weight: 373.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml, DMSO: 20 mg/ml, Ethanol: 2 mg/ml. lambdamax: 205, 250, 300 nm. SMILES: OC(C(C=C1)=CC=C1N2C(C3=C(O)C=CC=C3)=NC(C4=C(O)C=CC=C4)=N2)=O. InChi Code: InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28). InChi Key: BOFQWVMAQOTZIW-UHFFFAOYSA-N.