≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Describtion:
Bosentan is an endothelin (ET) receptor antagonist for ET-A and ET-B with Ki of 4.7 nM and 95 nM, respectively.
Product Application:
Bosentan hydrate has been used in cell viability assay. It has also been used as a positive control for calcium transient analysis.
| Pubchem Sid | 488188538 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188538 |
| Canonical Smiles | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC.O |
| IUPAC Name | 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate |
| InChIKey | SXTRWVVIEPWAKM-UHFFFAOYSA-N |
| 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 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC.O |
| Molecular Weight | 569.63 |
| Reaxy-Rn | 9031515 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9031515&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyrimidines and oligopyrimidines |
| Alternative Parents | Diarylethers Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bipyrimidine - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | hydrate |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E1520132 | Certificate of Analysis | Jun 15, 2026 | B129849 |
| C2324294 | Certificate of Analysis | Jan 09, 2025 | B129849 |
| C2324340 | Certificate of Analysis | Jan 09, 2025 | B129849 |
| C2324341 | Certificate of Analysis | Jan 09, 2025 | B129849 |
| C2324349 | Certificate of Analysis | Jan 09, 2025 | B129849 |
| C2324350 | Certificate of Analysis | Jan 09, 2025 | B129849 |
| C2324351 | Certificate of Analysis | Jan 09, 2025 | B129849 |
| F2129119 | Certificate of Analysis | Apr 13, 2023 | B129849 |
| F2129118 | Certificate of Analysis | Apr 13, 2023 | B129849 |
| Solubility | DMSO 113 mg/mL Water 0.001 mg/mL Ethanol 2 mg/mL |
|---|---|
| Molecular Weight | 569.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 11 |
| Exact Mass | 569.194 Da |
| Monoisotopic Mass | 569.194 Da |
| Topological Polar Surface Area | 155.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 839.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
