SPA70

SPA70 is a pregnane X receptor (PXR) antagonist (IC50 = 0.51 µM). It is selective for PXR over 10 additional nuclear receptors at concentrations greater than 5 µM, as well as over a panel of 384 kinases at 10 µM. SPA70 (0.1-10 µM) inhibits PXR activation induced by rifampicin (Cay-14423) in HEK293 cells expressing the human receptor. It also inhibits rifampicin-induced activity of the PXR target cytochrome P450 (CYP) isoform 3A4 (CYP3A4) in primary human hepatocytes. SPA70 (200 mg/kg) inhibits PXR agonist-induced CYP3A4-mediated metabolism of midazolam and paclitaxel (Cay-10461) in human PXR transgenic (hPXR-tg) mice.Formal Name: 1-(2,5-dimethoxyphenyl)-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-5-methyl-1H-1,2,3-triazole. CAS Number: 931314-31-7. Synonyms: Specific PXR Antagonist 70. Molecular Formula: C21H25N3O4S. Formula Weight: 415.5. Purity: >90%. Formulation: (Request formulation change), A solid. Solubility: Chloroform: 10 mg/ml. lambdamax: 234 nm. SMILES: COC1=CC(N2N=NC(S(C3=CC=C(C(C)(C)C)C=C3)(=O)=O)=C2C)=C(OC)C=C1. InChi Code: InChI=1S/C21H25N3O4S/c1-14-20(29(25,26)17-10-7-15(8-11-17)21(2,3)4)22-23-24(14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3. InChi Key: OIOPHIFJQXHPAF-UHFFFAOYSA-N.