2-amino-3-[(2,5-dichloro-4-methylthiophen-3-yl)sulfonylamino]propanoic acid (CED0312757)

Record Information

Version

1.0

Creation Date

2026-09-01 12:04:52 UTC

Update Date

2026-09-01 12:04:52 UTC

SynCED ID

CED0312757

Secondary Accession Numbers

CHEM358590

Identification

Common Name

2-amino-3-[(2,5-dichloro-4-methylthiophen-3-yl)sulfonylamino]propanoic acid

Class

Small Molecule

Description

2-amino-3-[(2,5-dichloro-4-methylthiophen-3-yl)sulfonylamino]propanoic acid is a compound with the formula C8H10Cl2N2O4S2. It has an average molecular weight of 333.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₀Cl₂N₂O₄S₂

Average Molecular Mass

Not Available

Monoisotopic Mass

331.946 g/mol

CAS Registry Number

2361643-68-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=C(SC(=C1S(=O)(=O)NCC(C(=O)O)N)Cl)Cl

InChI Identifier

InChI=1S/C8H10Cl2N2O4S2/c1-3-5(7(10)17-6(3)9)18(15,16)12-2-4(11)8(13)14/h4,12H,2,11H2,1H3,(H,13,14)

InChI Key

COWXAAGSVZSKFX-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1517.0 Log mg/kg [850:2700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.289 Low confidence Statistical Significance 3.50e-04 Supporting Reference Compounds 1 E-value 2.72472
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.275 Low confidence Statistical Significance 5.50e-04 Supporting Reference Compounds 2 E-value 4.28171
Click to view 3D structure	Glutamate receptor 1	P19490	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.279 Low confidence Statistical Significance 0.0064 Supporting Reference Compounds 37 E-value 49.6678
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.279 Low confidence Statistical Significance 8.40e-04 Supporting Reference Compounds 31 E-value 6.53933
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.279 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 45 E-value 12.378
Click to view 3D structure	Glutamate receptor 1	P42261	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.269 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 37 E-value 10.5875
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 5.00e-04 Supporting Reference Compounds 1 E-value 3.89246
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.269 Low confidence Statistical Significance 0.001 Supporting Reference Compounds 41 E-value 7.86277
Click to view 3D structure	Glutamate receptor 3	P42263	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.269 Low confidence Statistical Significance 4.90e-04 Supporting Reference Compounds 16 E-value 3.81461
Click to view 3D structure	Glutamate receptor 2	P19491	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.269 Low confidence Statistical Significance 7.30e-04 Supporting Reference Compounds 34 E-value 5.68299
Click to view 3D structure	Glutamate receptor 3	P19492	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.269 Low confidence Statistical Significance 8.10e-04 Supporting Reference Compounds 30 E-value 6.30579
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.269 Low confidence Statistical Significance 7.50e-04 Supporting Reference Compounds 25 E-value 5.83869
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.279 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 26 E-value 13.3122
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	P42260	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.279 Low confidence Statistical Significance 7.50e-04 Supporting Reference Compounds 18 E-value 5.83869
Click to view 3D structure	Glutamate receptor 4	P19493	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.269 Low confidence Statistical Significance 6.50e-04 Supporting Reference Compounds 25 E-value 5.0602
Click to view 3D structure	Glutamate receptor ionotropic, kainate 5	Q16478	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.269 Low confidence Statistical Significance 7.30e-04 Supporting Reference Compounds 17 E-value 5.68299
Click to view 3D structure	Kynureninase	Q16719	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.294 Low confidence Statistical Significance 9.20e-04 Supporting Reference Compounds 2 E-value 7.16213
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.279 Low confidence Statistical Significance 0.004 Supporting Reference Compounds 13 E-value 30.9061
Click to view 3D structure	Leucine--tRNA ligase	Q2FXH2	Staphylococcus aureus (strain NCTC 8325)	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0115 Supporting Reference Compounds 1 E-value 89.2152
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	Q13002	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.279 Low confidence Statistical Significance 0.001 Supporting Reference Compounds 16 E-value 7.86277
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.268 Low confidence Statistical Significance 8.50e-04 Supporting Reference Compounds 3 E-value 6.61718
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.256 Low confidence Statistical Significance 9.10e-04 Supporting Reference Compounds 2 E-value 7.08428
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.279 Low confidence Statistical Significance 0.0067 Supporting Reference Compounds 39 E-value 51.8476
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.279 Low confidence Statistical Significance 0.0214 Supporting Reference Compounds 85 E-value 166.442
Click to view 3D structure	Glutamate receptor 1	P23818	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.269 Low confidence Statistical Significance 2.40e-04 Supporting Reference Compounds 3 E-value 1.86838