(2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-n-[(3s)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]propanamide (CED0076584)

Record Information
Version1.0
Creation Date2026-08-22 07:16:30 UTC
Update Date2026-08-22 07:16:30 UTC
Accession NumberCHEM211200
Identification
Common Name(2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-n-[(3s)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]propanamide
ClassSmall Molecule
Description
(2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-n-[(3s)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]propanamide 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 C27H24F2N4O3 and an average molecular weight of 490.50 g/mol. It is classified within the superclass of organic acids and derivatives and the class of carboxylic acids and derivatives. The substance has been identified in or released from three recorded sources, specifically electrical and electronic equipment including magnets, gas filled discharge tubes with solid cathode, and auxiliary devices.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC27H24F2N4O3
Average Molecular Mass490.500 g/mol
Monoisotopic Mass490.182 g/mol
CAS Registry Number209986-17-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1
InChI KeyJNGZXGGOCLZBFB-IVCQMTBJSA-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
223.0Log mg/kg[130:400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Gastrin/cholecystokinin type B receptor structureClick to view 3D structureGastrin/cholecystokinin type B receptorP32239HumansPredicted (SEA)58.1534
Neurogenic locus notch homolog protein 2 structureClick to view 3D structureNeurogenic locus notch homolog protein 2Q04721HumansPredicted (SEA)2.80257
Neurogenic locus notch homolog protein 4 structureClick to view 3D structureNeurogenic locus notch homolog protein 4Q99466HumansPredicted (SEA)2.80257
Click to view 3D structureCholecystokinin receptor type AP30551Rattus norvegicusPredicted (SEA)39.4696
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)540.585
Click to view 3D structureGastrin/cholecystokinin type B receptorP56481Mus musculusPredicted (SEA)44.2184
Cholecystokinin receptor type A structureClick to view 3D structureCholecystokinin receptor type AP32238HumansPredicted (SEA)112.57
Click to view 3D structureGastrin/cholecystokinin type B receptorP30553Rattus norvegicusPredicted (SEA)73.6454
Neurogenic locus notch homolog protein 3 structureClick to view 3D structureNeurogenic locus notch homolog protein 3Q9UM47HumansPredicted (SEA)4.12601
Click to view 3D structureCholecystokinin receptor type AQ63931Cavia porcellusPredicted (SEA)155.698
fMet-Leu-Phe receptor structureClick to view 3D structurefMet-Leu-Phe receptorP21462HumansPredicted (SEA)91.7064
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)1744.21
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)954.899
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)2438.47
Annexin A3 structureClick to view 3D structureAnnexin A3P12429HumansPredicted (SEA)13.7793
Click to view 3D structureFalcipain 2Q9N6S8Plasmodium falciparumPredicted (SEA)245.848
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)483.054
Sodium channel protein type 9 subunit alpha structureClick to view 3D structureSodium channel protein type 9 subunit alphaQ15858HumansPredicted (SEA)696.361
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)1892.36
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)966.81
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)2814.02
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)3280.88
Bromodomain-containing protein 4 structureClick to view 3D structureBromodomain-containing protein 4O60885HumansPredicted (SEA)1732.77
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P14867HumansPredicted (SEA)224.517
Serine/threonine-protein kinase VRK2 structureClick to view 3D structureSerine/threonine-protein kinase VRK2Q86Y07HumansPredicted (SEA)968.834
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available