[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2,4-diamino-4-oxobutanoyl]sulfamate (CED0244840)

Record Information
Version1.0
Creation Date2026-08-28 08:40:05 UTC
Update Date2026-08-28 08:40:05 UTC
Accession NumberCHEM289208
Identification
Common Name[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2,4-diamino-4-oxobutanoyl]sulfamate
ClassSmall Molecule
Description
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2,4-diamino-4-oxobutanoyl]sulfamate belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. This compound has the formula C14H20N8O8S and an average molecular weight of 460.43 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H20N8O8S
Average Molecular MassNot Available
Monoisotopic Mass460.112 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CC(=O)N)N)O)O)N
InChI IdentifierInChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/t5-,6+,9+,10+,14+/m0/s1
InChI KeyMOAVDHSPHZUJSX-UFIIOMENSA-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
8316.0Log mg/kg[4700:15000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Serine--tRNA ligase, cytoplasmic structureClick to view 3D structureSerine--tRNA ligase, cytoplasmicP49591HumansPredicted (SEA)0.0778492
Click to view 3D structureL-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligaseP9WJM9Mycobacterium tuberculosisPredicted (SEA)0.0778492
Yersiniabactin biosynthetic protein structureClick to view 3D structureYersiniabactin biosynthetic proteinA0A2S9PH42Yersinia pestisPredicted (SEA)0.0778492
Serine--tRNA ligase structureClick to view 3D structureSerine--tRNA ligaseP95689Staphylococcus aureus (strain NCTC 8325 / PS 47)Predicted (SEA)0.0778492
Histidine--tRNA ligase, cytoplasmic structureClick to view 3D structureHistidine--tRNA ligase, cytoplasmicP12081HumansPredicted (SEA)0.0778492
Serine--tRNA ligase structureClick to view 3D structureSerine--tRNA ligaseP0A8L1Escherichia coli (strain K12)Predicted (SEA)0.0778492
Pyochelin synthase PchD structureClick to view 3D structurePyochelin synthase PchDQ9HWG3Pseudomonas aeruginosaPredicted (SEA)0.311397
Aspartate--tRNA ligase structureClick to view 3D structureAspartate--tRNA ligaseP21889Escherichia coli (strain K12)Predicted (SEA)0.0778492
Click to view 3D structureProline--tRNA ligaseP16659Escherichia coliPredicted (SEA)0.0778492
Long-chain-fatty-acid--AMP ligase FadD28 structureClick to view 3D structureLong-chain-fatty-acid--AMP ligase FadD28P9WQ59Mycobacterium tuberculosisPredicted (SEA)0.233548
Click to view 3D structureSalicyl-AMP ligase / salicyl-S-ArCP synthetaseP71716Mycobacterium tuberculosisPredicted (SEA)0.544945
Click to view 3D structureMedium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligaseP9WQ51Mycobacterium tuberculosisPredicted (SEA)0.233548
Anthranilate--CoA ligase structureClick to view 3D structureAnthranilate--CoA ligaseQ9I4X3Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 /JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)Predicted (SEA)0.311397
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)3.50322
Glutamine--tRNA ligase structureClick to view 3D structureGlutamine--tRNA ligaseP00962Escherichia coli (strain K12)Predicted (SEA)0.778492
Heat shock cognate 71 kDa protein structureClick to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)1.32344
Sensor protein kinase WalK structureClick to view 3D structureSensor protein kinase WalKQ9RDT3Staphylococcus aureusPredicted (SEA)1.32344
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)4.98235
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)2.02408
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)14.1686
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)1.55698
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)13.7015
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)1.79053
Histone-arginine methyltransferase CARM1 structureClick to view 3D structureHistone-arginine methyltransferase CARM1Q86X55HumansPredicted (SEA)3.03612
Click to view 3D structureP2Y purinoceptor 11Q96G91HumansPredicted (SEA)1.63483
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available