(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-ethyl-3,4-dihydroxyoxolane-2-carboxamide (CED0045789)

Record Information
Version1.0
Creation Date2026-08-18 18:53:21 UTC
Update Date2026-08-18 18:53:21 UTC
Accession NumberCHEM166360
Identification
Common Name(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-ethyl-3,4-dihydroxyoxolane-2-carboxamide
ClassSmall Molecule
Description
(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-ethyl-3,4-dihydroxyoxolane-2-carboxamide belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. This compound has the chemical formula C12H16N6O4 and an average molecular weight of 308.29 g/mol. It has been identified in or released from five recorded sources: electrical and electronic equipment, specifically radio transmission systems, relays, magnets, video games, and emergency protective devices.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H16N6O4
Average Molecular Mass308.290 g/mol
Monoisotopic Mass308.123 g/mol
CAS Registry Number35920-39-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
InChI KeyJADDQZYHOWSFJD-FLNNQWSLSA-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
SpectraNot Available
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
509.0Log mg/kg[290:910]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEndoplasminQ29092Sus scrofaPredicted (SEA)0.233548
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)0.622794
Endoplasmin structureClick to view 3D structureEndoplasminP14625HumansPredicted (SEA)0.311397
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)4.20386
Click to view 3D structure2-oxoglutarate receptor 1Q6Y1R5Rattus norvegicusPredicted (SEA)0.311397
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)2.72472
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)3.42537
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)6.69503
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)4.9045
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)4.67095
Adenosylhomocysteinase structureClick to view 3D structureAdenosylhomocysteinaseP23526HumansPredicted (SEA)0.233548
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)20.1629
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)12.378
Click to view 3D structureS-methyl-5'-thioadenosine phosphorylaseQ9CQ65Mus musculusPredicted (SEA)2.02408
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)7.47353
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)7.08428
Click to view 3D structureAdenosylhomocysteinaseP10760Rattus norvegicusPredicted (SEA)0.856341
Histone-arginine methyltransferase CARM1 structureClick to view 3D structureHistone-arginine methyltransferase CARM1Q86X55HumansPredicted (SEA)4.35956
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)4.51525
Click to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)4.12601
Click to view 3D structureSensor protein kinase WalKQ9RDT3Staphylococcus aureusPredicted (SEA)4.12601
Histone-lysine N-methyltransferase, H3 lysine-79 specific structureClick to view 3D structureHistone-lysine N-methyltransferase, H3 lysine-79 specificQ8TEK3HumansPredicted (SEA)3.58106
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)4.35956
Click to view 3D structureAdenosine receptor A1P47745Cavia porcellusPredicted (SEA)6.30579
Protein arginine N-methyltransferase 1 structureClick to view 3D structureProtein arginine N-methyltransferase 1Q99873HumansPredicted (SEA)3.73676
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available