Opsumit (CED0005476)

Record Information
Version1.0
Creation Date2026-04-05 13:38:52 UTC
Update Date2026-08-20 02:45:30 UTC
Accession NumberCHEM102984
Identification
Common NameOpsumit
ClassSmall Molecule
Description
Opsumit is an organic compound with the chemical formula C19H20Br2N6O4S. Opsumit belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. With an average molecular weight of 588.28 g/mol, Opsumit is a heavy molecule. It is categorized as an organoheterocyclic compound. This compound is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically as an antihypertensive. The recorded route of exposure is oral. Opsumit acts on two recorded protein targets, serving as an antagonist of the endothelin-1 receptor (EDNRA) and the endothelin receptor type B (EDNRB). Various health effects are associated with Opsumit. These include anemia (PMC11861443, PMC9506206), bronchitis (PMC11861443), cough (PMC11861443), nasopharyngitis (PMC11861443), dizziness (PMC11861443), dyspnea (PMC11861443), cataract (PMC11861443), diarrhea (PMC11861443), headache (PMC11861443), pneumonia (PMC11861443), osteoarthritis (PMC11861443), edema (PMC11861443), and hypotension (PMC11861443).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H20Br2N6O4S
Average Molecular Mass588.280 g/mol
Monoisotopic Mass585.963 g/mol
CAS Registry Number441798-33-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1
InChI IdentifierInChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)
InChI KeyJGCMEBMXRHSZKX-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-3901160000-b6d9402ae5e78102af12Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9110000000-c13ab599d6a478c7b3c6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9500000000-ad5720f1600defc60f88Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-1242290000-b011e354e5d55084349cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-5205900000-0f4f0f2ad5cb7d3cb6e9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-4204900000-e76486b2790eb78c4914Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5169.0Log mg/kg[2900:9200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
dizzinessassociated_withNot AvailablePMC11861443
anemiaassociated_withNot AvailablePMC11861443 , PMC11861443 , PMC11861443 , PMC9506206
bronchitisassociated_withNot AvailablePMC11861443
diarrheaassociated_withNot AvailablePMC11861443
headacheassociated_withNot AvailablePMC11861443
coughassociated_withNot AvailablePMC11861443
edemaassociated_withNot AvailablePMC11861443 , PMC11861443 , PMC11861443
nasopharyngitisassociated_withNot AvailablePMC11861443
pneumoniaassociated_withNot AvailablePMC11861443
hypotensionassociated_withNot AvailablePMC11861443 , PMC11861443
osteoarthritisassociated_withNot AvailablePMC11861443
dyspneaassociated_withNot AvailablePMC11861443
cataractassociated_withNot AvailablePMC11861443
pulmonary hypertensionis_treatment_forNot AvailablePMC11058662
urinary tract infectionassociated_withNot AvailablePMC11861443
Exposure Sources
Source IDSourceSectorReference
289AntihypertensivesHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
2 pathways
Macitentan Drug Metabolism Action Pathway
Macitentan Drug Metabolism Action Pathway
Macitentan Predicted Metabolism Pathway
Macitentan Predicted Metabolism Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Endothelin-1 receptor structureClick to view 3D structureEndothelin-1 receptorP25101HumansPredicted (SEA)16.8154
Endothelin receptor type B structureClick to view 3D structureEndothelin receptor type BP24530HumansPredicted (SEA)6.22794
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)247.561
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)138.027
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)87.1133
Click to view 3D structureTranslocator proteinP30536HumansPredicted (SEA)18.8395
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)261.729
Click to view 3D structureEndothelin-1 receptorQ29010Sus scrofaPredicted (SEA)75.8251
Click to view 3D structureEndothelin-1 receptorP26684Rattus norvegicusPredicted (SEA)110.079
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)3084.07
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)3747.04
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)4138.46
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)3923.45
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformP42336HumansPredicted (SEA)2814.72
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)4313.47
MAP kinase-interacting serine/threonine-protein kinase 1 structureClick to view 3D structureMAP kinase-interacting serine/threonine-protein kinase 1Q9BUB5HumansPredicted (SEA)1487.0
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)4022.16
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansPredicted (SEA)4345.54
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)4861.45
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)5007.81
Receptor tyrosine-protein kinase erbB-4 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-4Q15303HumansPredicted (SEA)4245.12
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)5154.79
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)5339.99
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)5314.46
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)5595.72
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available