Hydroxy Bosentan

Hydroxy bosentan is an active phase I metabolite of bosentan (Cay-11731) produced by the cytochrome P450 isoforms CYP3A4 and CYP2C9. Bosentan is an antagonist of the endothelin receptors type A (Ki = 6.5 nM) and type B (Ki = 340 nM). Up to 20% of the activity of bosentan may be due to the action of hydroxy bosentan because even though it has a lower affinity for endothelin receptors, its concentration is 3-fold higher in plasma.Formal Name: 4-(2-hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide. CAS Number: 253688-60-7. Synonyms: Ro 48-5033, Ro 48-8634. Molecular Formula: C27H29N5O7S. Formula Weight: 567.6. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: soluble. SMILES: COC1=CC=CC=C1OC2=C(NS(C3=CC=C(C(C)(CO)C)C=C3)(=O)=O)N=C(C4=NC=CC=N4)N=C2OCCO. InChi Code: InChI=1S/C27H29N5O7S/c1-27(2,17-34)18-9-11-19(12-10-18)40(35,36)32-23-22(39-21-8-5-4-7-20(21)37-3)26(38-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32). InChi Key: FAJQMBCLPZWTQJ-UHFFFAOYSA-N.