N-[3-[(2s,5s)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-n-hydroxyacetamide (CED0245631)

Record Information
Version1.0
Creation Date2026-08-28 09:44:07 UTC
Update Date2026-08-28 09:44:07 UTC
Accession NumberCHEM290042
Identification
Common NameN-[3-[(2s,5s)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-n-hydroxyacetamide
ClassSmall Molecule
Description
N-[3-[(2s,5s)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-n-hydroxyacetamide 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 C14H24N4O6 and an average molecular weight of 344.36 g/mol. It is found in or released from one recorded source: Electrical & Electronic Equipment (Thin Magnetic Films).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H24N4O6
Average Molecular MassNot Available
Monoisotopic Mass344.170 g/mol
CAS Registry Number18928-00-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C)O)O
InChI IdentifierInChI=1S/C14H24N4O6/c1-9(19)17(23)7-3-5-11-13(21)16-12(14(22)15-11)6-4-8-18(24)10(2)20/h11-12,23-24H,3-8H2,1-2H3,(H,15,22)(H,16,21)/t11-,12-/m0/s1
InChI KeyPUWVNTVQJFSBDH-RYUDHWBXSA-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
2745.0Log mg/kg[1500:4900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1851.57
Click to view 3D structureCytochrome P450A0A0T9WNE5Mycobacterium tuberculosisPredicted (SEA)10.1982
1-deoxy-D-xylulose 5-phosphate reductoisomerase structureClick to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseP45568Escherichia coli (strain K12)Predicted (SEA)2.49118
Prolactin receptor structureClick to view 3D structureProlactin receptorP16471HumansPredicted (SEA)74.346
Click to view 3D structureActin, cytoplasmic 1O93400Xenopus laevisPredicted (SEA)48.1108
Click to view 3D structureHistone deacetylaseQ9GUA8Cryptosporidium parvumPredicted (SEA)41.8829
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)2566.69
Click to view 3D structureProtein deacetylase HDAC6Q9Z2V5Mus musculusPredicted (SEA)208.247
Click to view 3D structureHistone deacetylaseQ9GU59Cryptosporidium parvumPredicted (SEA)41.2601
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)4155.44
Click to view 3D structureFructose-bisphosphate aldolaseP56109Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)1.71268
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseA0QVH7Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)Predicted (SEA)1.47914
Click to view 3D structureFructose-bisphosphate aldolaseQ9URB4Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)2.56902
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)2911.25
Lysine-specific demethylase 4A structureClick to view 3D structureLysine-specific demethylase 4AO75164HumansPredicted (SEA)481.887
Click to view 3D structureFructose-bisphosphate aldolase class IIA0A380PJR2Yersinia pestisPredicted (SEA)1.79053
T-cell surface antigen CD2 structureClick to view 3D structureT-cell surface antigen CD2P06729HumansPredicted (SEA)68.0402
Tumor necrosis factor receptor superfamily member 5 structureClick to view 3D structureTumor necrosis factor receptor superfamily member 5P25942HumansPredicted (SEA)177.652
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseP9WNS1Mycobacterium tuberculosisPredicted (SEA)5.3716
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)455.029
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)2298.97
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)2939.51
Click to view 3D structureSPRY domain-containing SOCS box protein 2O88838Mus musculusPredicted (SEA)32.4631
Click to view 3D structureHistone deacetylase HD2Q94F81Zea maysPredicted (SEA)341.369
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplasticQ8IKG4Plasmodium falciparum (isolate 3D7)Predicted (SEA)5.29375
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available