2-amino-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoic acid (CED0312499)

Record Information
Version1.0
Creation Date2026-09-01 11:38:41 UTC
Update Date2026-09-01 11:38:41 UTC
SynCED IDCED0312499
Secondary Accession Numbers
  • CHEM358324
Identification
Common Name2-amino-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoic acid
ClassSmall Molecule
Description
2-amino-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoic acid is a chemical compound with the formula C7H8Cl2N2O4S2. It has an average molecular weight of 319.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H8Cl2N2O4S2
Average Molecular MassNot Available
Monoisotopic Mass317.930 g/mol
CAS Registry Number2361635-17-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=C(SC(=C1S(=O)(=O)NCC(C(=O)O)N)Cl)Cl
InChI IdentifierInChI=1S/C7H8Cl2N2O4S2/c8-5-1-4(6(9)16-5)17(14,15)11-2-3(10)7(12)13/h1,3,11H,2,10H2,(H,12,13)
InChI KeyYXHZFBGSHADASY-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2244.0 Log mg/kg [1300:4000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Kynureninase structureClick to view 3D structureKynureninaseQ16719HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.327
Statistical Significance
2.60e-04
Supporting Reference Compounds
2
E-value
2.02408
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.295 Low confidence
Statistical Significance
3.00e-04
Supporting Reference Compounds
1
E-value
2.33548
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.282 Low confidence
Statistical Significance
4.90e-04
Supporting Reference Compounds
2
E-value
3.81461
Click to view 3D structureLeucine--tRNA ligaseQ2FXH2Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0044
Supporting Reference Compounds
1
E-value
34.4094
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.283 Low confidence
Statistical Significance
8.20e-04
Supporting Reference Compounds
41
E-value
6.38364
Tyrosine 3-monooxygenase structureClick to view 3D structureTyrosine 3-monooxygenaseP04177Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.275 Low confidence
Statistical Significance
8.50e-04
Supporting Reference Compounds
1
E-value
6.61718
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
37
E-value
9.10836
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0061
Supporting Reference Compounds
37
E-value
47.8773
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
45
E-value
11.9109
Click to view 3D structureKynureninaseP70712Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.269 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.25202
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.278 Low confidence
Statistical Significance
8.60e-04
Supporting Reference Compounds
31
E-value
6.69503
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.283 Low confidence
Statistical Significance
6.50e-04
Supporting Reference Compounds
34
E-value
5.0602
Click to view 3D structureGlutamate receptor ionotropic, kainate 5Q16478HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.283 Low confidence
Statistical Significance
6.20e-04
Supporting Reference Compounds
17
E-value
4.82665
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
13
E-value
21.4864
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.269 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
26
E-value
11.6774
Glutamate transporter homolog structureClick to view 3D structureGlutamate transporter homologO59010Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)Predicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.275 Low confidence
Statistical Significance
6.40e-04
Supporting Reference Compounds
3
E-value
4.98235
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.269 Low confidence
Statistical Significance
0.0113
Supporting Reference Compounds
85
E-value
88.2032
Excitatory amino acid transporter 1 structureClick to view 3D structureExcitatory amino acid transporter 1P43003HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
11
E-value
11.1324
Glutamate receptor 3 structureClick to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.283 Low confidence
Statistical Significance
9.10e-04
Supporting Reference Compounds
30
E-value
7.08428
Click to view 3D structureGlutamate receptor 4P48058HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.283 Low confidence
Statistical Significance
7.60e-04
Supporting Reference Compounds
25
E-value
5.91654
Click to view 3D structureGlutamate receptor 3P42263HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.278 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
16
E-value
4.5931
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2Q13002HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.278 Low confidence
Statistical Significance
8.00e-04
Supporting Reference Compounds
16
E-value
6.22794
Click to view 3D structureGlutamate receptor ionotropic kainate 2B9V8S1Xenopus laevisPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.259 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
2
E-value
1.01204
Click to view 3D structureGlutamate racemaseQ03469Lactobacillus fermentumPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0046
Supporting Reference Compounds
1
E-value
35.5771
Glutamate receptor 4 structureClick to view 3D structureGlutamate receptor 4P19493Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.283 Low confidence
Statistical Significance
7.20e-04
Supporting Reference Compounds
25
E-value
5.60514
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available