(2r,3r,4r,5r)-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol (CED0178527)

Record Information
Version1.0
Creation Date2026-08-18 19:14:44 UTC
Update Date2026-08-18 19:14:44 UTC
Accession NumberCHEM166871
Identification
Common Name(2r,3r,4r,5r)-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
ClassSmall Molecule
Description
(2r,3r,4r,5r)-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. This compound has the chemical formula C12H17N5O4 and an average molecular weight of 295.29 g/mol. It has been identified in or released from eight recorded sources. These sources include food, food processing, and cookware, specifically the processing of fish and the preparation of malt. Additionally, it is associated with electrical and electronic equipment, including antennas, magnets, superconducting magnets and superconducting coils, gas filled discharge tubes with solid cathode, and discharge tubes with liquid pool cathodes, among one other source.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC12H17N5O4
Average Molecular Mass295.290 g/mol
Monoisotopic Mass295.128 g/mol
CAS Registry Number57817-83-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1
InChI KeyGRYSXUXXBDSYRT-WOUKDFQISA-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
1116.0Log mg/kg[630:2000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
515Discharge Tubes With Liquid Pool CathodesElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
584BuoysMarine, shipping & aquacultureNot Available
586Fishing BoatsMarine, shipping & aquacultureNot Available
589Life BuoysMarine, shipping & aquacultureNot Available
590Lifeboat EquipmentMarine, shipping & aquacultureNot Available
591LifeboatsMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
593Nautical InstrumentsMarine, shipping & aquacultureNot Available
601Lawn MowersAgriculture & land managementNot Available
624Merry Go RoundsRecreation & sports surfacesNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)11.2881
Click to view 3D structureAdenosine receptor A1P47745Cavia porcellusPredicted (SEA)3.97031
Click to view 3D structureAdenosine receptor A3Q61618Mus musculusPredicted (SEA)7.31783
Click to view 3D structureAdenosine receptor A1Q60612Mus musculusPredicted (SEA)6.92858
High affinity choline transporter 1 structureClick to view 3D structureHigh affinity choline transporter 1Q9GZV3HumansPredicted (SEA)1.86838
Click to view 3D structureAdenosine receptor A2aP46616Cavia porcellusPredicted (SEA)4.12601
Click to view 3D structureAdenosine receptor A3O02667Oryctolagus cuniculusPredicted (SEA)2.17978
Click to view 3D structureAdenosine receptor A1P34970Oryctolagus cuniculusPredicted (SEA)2.41333
Click to view 3D structureAdenosine kinaseQ9TVW2Toxoplasma gondiiPredicted (SEA)2.10193
Click to view 3D structureA1 adenosine receptorQ4VQ11Sus scrofaPredicted (SEA)2.88042
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)77.5378
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)45.4639
Equilibrative nucleoside transporter 1 structureClick to view 3D structureEquilibrative nucleoside transporter 1Q99808HumansPredicted (SEA)3.11397
Click to view 3D structureAdenosine kinaseP9WID5Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)4.51525
Click to view 3D structureNAD kinaseQ5HH78Staphylococcus aureus (strain COL)Predicted (SEA)5.29375
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)6.77288
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)4.9045
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)11.6774
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)11.4438
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)9.49761
Click to view 3D structureAdenosine receptor A1P49892Gallus gallusPredicted (SEA)1.40129
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)3.19182
Endoplasmin structureClick to view 3D structureEndoplasminP14625HumansPredicted (SEA)2.17978
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)16.5819
Click to view 3D structureAdenosine receptor A1P28190Bos taurusPredicted (SEA)5.2159
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available