CHEBI:83314 - vorapaxar sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vorapaxar sulfate
ChEBI ID CHEBI:83314
Definition An organic sulfate salt obtained by combining vorapaxar with one molar equivalent of sulfuric acid. A protease-activated receptor-1 antagonist used for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C29H35FN2O8S
Net Charge 0
Average Mass 590.66000
Monoisotopic Mass 590.20982
InChI InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1
InChIKey NQRYCIGCIAWEIC-CKLVGUEFSA-N
SMILES OS(O)(=O)=O.CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Roles Classification
Biological Role(s): protease-activated receptor-1 antagonist
An antagonist at the protease-activated receptor-1.
Application(s): cardiovascular drug
A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
platelet aggregation inhibitor
A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing vorapaxar sulfate (CHEBI:83314) has part vorapaxar(1+) (CHEBI:83315)
vorapaxar sulfate (CHEBI:83314) has role cardiovascular drug (CHEBI:35554)
vorapaxar sulfate (CHEBI:83314) has role platelet aggregation inhibitor (CHEBI:50427)
vorapaxar sulfate (CHEBI:83314) has role protease-activated receptor-1 antagonist (CHEBI:83313)
vorapaxar sulfate (CHEBI:83314) is a organic sulfate salt (CHEBI:51337)
IUPAC Names
2-[(E)-2-{(3R,3aS,4S,4aR,7R,8aR,9aR)-7-[(ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-yl}ethenyl]-5-(3-fluorophenyl)pyridinium hydrogen sulfate
ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate sulfate
Synonyms Sources
Sch 530348 ChemIDplus
vorapaxar monosulfate ChEBI
Brand Name Source
ZONTIVITY KEGG DRUG
Manual Xrefs Databases
D09766 KEGG DRUG
Vorapaxar Wikipedia
View more database links
Registry Numbers Types Sources
12646217 Reaxys Registry Number Reaxys
705260-08-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20307225 PubMed citation Europe PMC
20926621 PubMed citation Europe PMC
21248619 PubMed citation Europe PMC
21935705 PubMed citation Europe PMC
22644721 PubMed citation Europe PMC
24211500 PubMed citation Europe PMC
24452610 PubMed citation Europe PMC
24962425 PubMed citation Europe PMC
Last Modified
15 October 2014