SML1265

Bosentan hydrate

≥98% (HPLC)

• Synonym(s): 4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2′-bipyrimidin]-4-yl]benzenesulfonamide monohydrate, 4-Tert-butyl-N- [6-(2-hydroxyethoxy)-5-(2-methoxy-phenoxy)-[2,2´]-bipyrimidin-4-yl]-benzenesulfonamide monohydrate, Ro-47-0203
• Empirical Formula (Hill Notation): C₂₇H₂₉N₅O₆S · H₂O
• CAS Number: 157212-55-0
• Molecular Weight: 569.63
• MDL number: MFCD09751188
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825756
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 5 mg/mL, clear (warmed)
• storage temp.: 2-8°C
• SMILES string: O=S(C1=CC=C(C(C)(C)C)C=C1)(NC2=NC(C3=NC=CC=N3)=NC(OCCO)=C2OC4=CC=CC=C4OC)=O.O
• InChI: 1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2
• InChI key: SXTRWVVIEPWAKM-UHFFFAOYSA-N

Description

Application

Bosentan hydrate has been used in cell viability assay. It has also been used as a positive control for calcium transient analysis.

Biochem/physiol Actions

Bosentan is an endothelin receptor antagonist. Endothelin is a potent vasoconstrictor, making antagonists of clinical interest for the treatment of conditions associated with vasospasm, such as subarachnoid hemorrhage (SAH) and hypertension. Bosentan is a dual endothelin receptor antagonist effective in the treatment of pulmonary arterial hypertension (PAH), the first of the class to make it to market. Bosentan is an orally available, competitive antagonist of both the ETA and ETB receptor subtypes with a Ki of 4.7 nM for ETA and a Ki of 95 nM for ETB.

Bosentan is found to decrease deposition of collagen in the lungs, which has been observed in bleomycin-induced pulmonary fibrosis rat model.

Safety Information

• pictograms: GHS08
• signalword: Warning
• hcodes: H361fd,H412
• pcodes: P202 - P273 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Aquatic Chronic 3 - Repr. 2
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable