XL335

XL335 is an orally bioavailable and potent agonist of the farnesoid X receptor (FXR) with an EC50 value of 4 nM in CV-1 cells transfected with human FXR. It is selective for FXR over a panel of 15 nuclear receptors at concentrations up to 10 µM. XL335 induces expression of mouse intestinal bile acid binding protein (IBABP), human bile salt excretory pump (BSEP), and small heterodimer partner (SHP) genes in reporter gene assays. It also induces a 20-, 13-, and 2-fold increase in mRNA expression for IBABP, BSEP, and SHP, respectively, at a concentration of 1 µM. XL335 (3 mg/kg) reduces plasma cholesterol and triglycerides by 39 and 50%, respectively, and decreases the area of pre-atherosclerotic lesions in LDLR-/- mice fed a Western diet. It also decreases hepatic fibrosis in a mouse model of non-alcoholic steatohepatitis.Formal Name: 3-(3,4-difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethyl-azepino[4,5-b]indole-5-carboxylic acid, 1-methylethyl ester. CAS Number: 629664-81-9. Synonyms: FXR 450, Turofexorate Isopropyl, WAY-362450. Molecular Formula: C25H24F2N2O3. Formula Weight: 438.5. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 10 mg/ml, DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml, DMSO: 5 mg/ml, Ethanol: 0.2 mg/ml. lambdamax: 216, 262, 340 nm. SMILES: O=C(OC(C)C)C1=CN(C(C2=CC(F)=C(F)C=C2)=O)CC(C)(C)C3=C1NC4=C3C=CC=C4. InChi Code: InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3. InChi Key: INASOKQDNHHMRE-UHFFFAOYSA-N.