2-[(1,3-Dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic acid (CED0187976)

Record Information
Version1.0
Creation Date2026-04-05 14:08:23 UTC
Update Date2026-08-20 04:04:14 UTC
Accession NumberCHEM103659
Identification
Common Name2-[(1,3-Dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic acid
ClassSmall Molecule
Description
2-[(1,3-Dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C19H27N3O6 and an average molecular weight of 393.44 g/mol. The substance is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antianemic preparations. The recorded route of exposure is oral. Regarding its biological activity, the compound acts on three recorded protein targets. It functions as an inhibitor of Egl nine homolog 1 (EGLN1), as well as prolyl hydroxylase EGLN2 and prolyl hydroxylase EGLN3.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H27N3O6
Average Molecular Mass393.440 g/mol
Monoisotopic Mass393.190 g/mol
CAS Registry Number960539-70-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChI IdentifierInChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChI KeyRUEYEZADQJCKGV-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0gbd-5119000000-482461d5c71ed5f6cfd0Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-2009000000-052fa2025f1479aa80ffNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-5194000000-168ed00886fba3d98d27Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00c0-9003000000-af4566e5e94471f332d3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0194000000-ffa0ab25511887939ed6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-1791000000-b51959a9f39c719391b2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9300000000-1699fde4d82ba50cd3b7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0009000000-0507583c784262f86d3bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00ku-0079000000-106e886f23566c4fea14Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ec-2986000000-889ea9bb35aa0802fd81Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0009000000-078b4564f5ab08102b44Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0005-3039000000-be8d889d2ba6f0c28018Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9233000000-1eff7503460d950b314fNot 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
2310.0Log mg/kg[1300:4100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
276Antianemic preparationsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Egl nine homolog 1 structureClick to view 3D structureEgl nine homolog 1Q9GZT9HumansPredicted (SEA)3.26967
Bifunctional peptidase and arginyl-hydroxylase JMJD5 structureClick to view 3D structureBifunctional peptidase and arginyl-hydroxylase JMJD5Q8N371HumansPredicted (SEA)0.233548
Click to view 3D structureProlyl hydroxylase EGLN3Q9H6Z9HumansPredicted (SEA)11.2881
Click to view 3D structureProlyl 4-hydroxylaseQ84406Paramecium bursaria Chlorella virus 1Predicted (SEA)8.09632
Prolyl hydroxylase EGLN2 structureClick to view 3D structureProlyl hydroxylase EGLN2Q96KS0HumansPredicted (SEA)9.6533
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)1305.69
Vitamin K-dependent protein C structureClick to view 3D structureVitamin K-dependent protein CP04070HumansPredicted (SEA)250.13
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)1813.5
Gamma-butyrobetaine dioxygenase structureClick to view 3D structureGamma-butyrobetaine dioxygenaseO75936HumansPredicted (SEA)27.7922
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)2993.22
Click to view 3D structureOpioid growth factor receptor-like protein 1Q5TC84HumansPredicted (SEA)42.6614
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)404.816
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP09610Mesocricetus auratusPredicted (SEA)204.588
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)2790.19
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)5392.69
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)1828.6
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)1481.55
Click to view 3D structureMelanocortin receptor 5G7PWB2Macaca fascicularisPredicted (SEA)68.3516
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)3437.51
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)1860.6
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)2027.51
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)2430.84
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)1856.39
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2077.87
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)3145.81
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available