3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid (CED0243892)

Record Information
Version1.0
Creation Date2026-08-28 07:37:24 UTC
Update Date2026-08-28 07:37:24 UTC
Accession NumberCHEM288222
Identification
Common Name3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid
ClassSmall Molecule
Description
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic 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 C14H18Cl2N2O3 and an average molecular weight of 333.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H18Cl2N2O3
Average Molecular MassNot Available
Monoisotopic Mass332.069 g/mol
CAS Registry Number32526-17-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC(=CC=C1CC(C(=O)O)NC=O)N(CCCl)CCCl
InChI IdentifierInChI=1S/C14H18Cl2N2O3/c15-5-7-18(8-6-16)12-3-1-11(2-4-12)9-13(14(20)21)17-10-19/h1-4,10,13H,5-9H2,(H,17,19)(H,20,21)
InChI KeyZPOLNCDBPYJDSE-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
266.0Log mg/kg[150:470]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
633Azo DyesTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLarge neutral amino acids transporter small subunit 1Q63016Rattus norvegicusPredicted (SEA)0.0778492
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)50.057
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)101.982
Angiotensin-converting enzyme 2 structureClick to view 3D structureAngiotensin-converting enzyme 2Q9BYF1HumansPredicted (SEA)108.833
Click to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)110.157
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)102.683
Carboxypeptidase A1 structureClick to view 3D structureCarboxypeptidase A1P15085HumansPredicted (SEA)40.5594
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)87.6582
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)254.489
Endothelin-converting enzyme 1 structureClick to view 3D structureEndothelin-converting enzyme 1P42892HumansPredicted (SEA)80.029
Serine racemase structureClick to view 3D structureSerine racemaseQ9GZT4HumansPredicted (SEA)22.3427
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)285.162
Click to view 3D structurePeptidylglycine alpha-amidating monooxygenaseP14925Rattus norvegicusPredicted (SEA)69.1301
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)128.918
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)243.357
Click to view 3D structureNeprilysinP19621Sus scrofaPredicted (SEA)52.0033
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)259.394
Click to view 3D structureNeprilysinQ61391Mus musculusPredicted (SEA)85.0892
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1055.01
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)81.3524
Chymase structureClick to view 3D structureChymaseP23946HumansPredicted (SEA)97.2337
Click to view 3D structureCytosol aminopeptidaseP00727Bos taurusPredicted (SEA)94.2754
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1256.64
Solute carrier family 15 member 2 structureClick to view 3D structureSolute carrier family 15 member 2Q16348HumansPredicted (SEA)43.5177
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)38.3797
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available