[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol (CED0064231)

Record Information
Version1.0
Creation Date2026-08-28 03:29:43 UTC
Update Date2026-08-28 03:29:43 UTC
Accession NumberCHEM285819
Identification
Common Name[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
ClassSmall Molecule
Description
[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the formula C13H26N6O6 and an average molecular weight of 362.38 g/mol. It is further classified as an organic nitrogen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H26N6O6
Average Molecular MassNot Available
Monoisotopic Mass362.191 g/mol
CAS Registry Number251294-81-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOCN(COC)C1=NC(=NC(=N1)N(CO)CO)N(COC)COC
InChI IdentifierInChI=1S/C13H26N6O6/c1-22-7-18(8-23-2)12-14-11(17(5-20)6-21)15-13(16-12)19(9-24-3)10-25-4/h20-21H,5-10H2,1-4H3
InChI KeyGSRBPSZSSSOAHJ-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
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
2643.0Log mg/kg[1500:4700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureExopolyphosphatase PRUNE1Q86TP1HumansPredicted (SEA)0.233548
cGMP-specific 3',5'-cyclic phosphodiesterase structureClick to view 3D structurecGMP-specific 3',5'-cyclic phosphodiesteraseO76074HumansPredicted (SEA)3273.25
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A structureClick to view 3D structurecAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10AQ9Y233HumansPredicted (SEA)2580.31
3',5'-cyclic-AMP phosphodiesterase 4D structureClick to view 3D structure3',5'-cyclic-AMP phosphodiesterase 4DQ08499HumansPredicted (SEA)3533.19
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A structureClick to view 3D structureHigh affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8AO60658HumansPredicted (SEA)999.195
Click to view 3D structureDual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11AQ9HCR9HumansPredicted (SEA)1883.09
cGMP-dependent 3',5'-cyclic phosphodiesterase structureClick to view 3D structurecGMP-dependent 3',5'-cyclic phosphodiesteraseO00408HumansPredicted (SEA)4210.48
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A structureClick to view 3D structurecGMP-inhibited 3',5'-cyclic phosphodiesterase 3AQ14432HumansPredicted (SEA)4590.85
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A structureClick to view 3D structureHigh affinity 3',5'-cyclic-AMP phosphodiesterase 7AQ13946HumansPredicted (SEA)4898.51
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A structureClick to view 3D structureHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9AO76083HumansPredicted (SEA)4714.0
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)18.6838
Click to view 3D structureDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1AP54750HumansPredicted (SEA)4960.55
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7725.45
Click to view 3D structureV-type immunoglobulin domain-containing suppressor of T-cell activationQ9D659Mus musculusPredicted (SEA)654.868
Click to view 3D structurePeroxisome proliferator activated receptor alphaQ7TNH1Mesocricetus auratusPredicted (SEA)1996.91
Click to view 3D structureThiamine transporter ThiTA2RI47Lactococcus lactis subsp. cremoris (strain MG1363)Predicted (SEA)101.515
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7760.09
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)7276.26
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)6765.49
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)7713.07
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)7708.86
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)7238.03
Click to view 3D structureAlpha-1D adrenergic receptorP23944Rattus norvegicusPredicted (SEA)6799.12
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7750.2
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)7454.69
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available