(2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid (CED0168785)

Record Information
Version1.0
Creation Date2026-08-20 02:57:33 UTC
Update Date2026-08-20 02:57:33 UTC
Accession NumberCHEM198595
Identification
Common Name(2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
ClassSmall Molecule
Description
(2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid is an organoheterocyclic compound with the chemical formula C19H20N8O5 and an average molecular weight of 440.40 g/mol. (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid belongs to the pterins and derivatives, a subclass of pteridines and derivatives within the organic compounds. This compound has been identified in or released from four recorded sources related to electrical and electronic equipment. These sources include radio transmission systems, line transmission systems, emergency protective devices, and amplifiers.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H20N8O5
Average Molecular Mass440.400 g/mol
Monoisotopic Mass440.156 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
InChI KeyTVZGACDUOSZQKY-LBPRGKRZSA-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 Spectrumsplash10-0096-0544900000-efcd2f5f62dcfb043306Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0953100000-272e902794c62cff2cceNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-1950000000-520242a1441cb373b6f2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0116900000-29568b55e81d08a49e7cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kk-0349300000-470cb75a136c7772640cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9871000000-ec6d8781d621ca9a5cc7Not 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
8307.0Log mg/kg[4700:15000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
505AmplifiersElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)5.2159
Click to view 3D structureDihydrofolate reductaseP00375Mus musculusPredicted (SEA)1.24559
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00381Lactobacillus caseiPredicted (SEA)3.73676
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)3.50322
Click to view 3D structureSolute carrier organic anion transporter family member 1A3P70502Rattus norvegicusPredicted (SEA)0.233548
Click to view 3D structureFolylpolyglutamate synthase, mitochondrialP48760Mus musculusPredicted (SEA)0.622794
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)8.25202
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ07422Toxoplasma gondiiPredicted (SEA)6.53933
Dihydrofolate synthase/folylpolyglutamate synthase structureClick to view 3D structureDihydrofolate synthase/folylpolyglutamate synthaseP08192Escherichia coli (strain K12)Predicted (SEA)0.155698
Click to view 3D structureBifunctional purine biosynthesis protein ATICQ9CWJ9Mus musculusPredicted (SEA)1.24559
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP16184Pneumocystis cariniiPredicted (SEA)7.08428
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP04818HumansPredicted (SEA)5.29375
Reduced folate transporter structureClick to view 3D structureReduced folate transporterP41440HumansPredicted (SEA)1.94623
Click to view 3D structureProton-coupled folate transporterQ96NT5HumansPredicted (SEA)1.94623
Folate receptor alpha structureClick to view 3D structureFolate receptor alphaP15328HumansPredicted (SEA)2.02408
Trifunctional purine biosynthetic protein adenosine-3 structureClick to view 3D structureTrifunctional purine biosynthetic protein adenosine-3P22102HumansPredicted (SEA)2.49118
Click to view 3D structureFolylpolyglutamate synthase, mitochondrialQ05932HumansPredicted (SEA)1.47914
Bifunctional purine biosynthesis protein ATIC structureClick to view 3D structureBifunctional purine biosynthesis protein ATICP31939HumansPredicted (SEA)2.10193
Click to view 3D structureDihydrofolate reductaseP00380Enterococcus faeciumPredicted (SEA)2.49118
Click to view 3D structureThymidylate synthaseP07607Mus musculusPredicted (SEA)5.52729
Click to view 3D structureThymidylate synthaseC3SWJ7Escherichia coliPredicted (SEA)4.04816
Folate receptor beta structureClick to view 3D structureFolate receptor betaP14207HumansPredicted (SEA)2.10193
Click to view 3D structureTrifunctional purine biosynthetic protein adenosine-3Q64737Mus musculusPredicted (SEA)3.58106
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP00469Lactobacillus caseiPredicted (SEA)6.46149
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00378Gallus gallusPredicted (SEA)4.7488
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available