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Cis-EpS

CAT: 0013-GTR19208627-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208627-02Size:100 mg
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Description
Cis-Epoxysuccinic acid is a dual-function small molecule, acting as a potential agonist for SUCNR1 (Succinate Receptor 1) and an inhibitor of ICL1 (Isocitrate Lyase 1) . It is used in biochemical research to study metabolic signaling pathways and microbial persistence, with applications in both in vitro enzyme assays and cellular receptor studies.
CAS Number
16533-72-5
Product Name Alternative
Cis-Epoxysuccinic acid, cis-2,3-Oxiranedicarboxylic Acid, PLX-7683, PLX 7683.
Field of Research
Pharmacology & Drug Discovery
Purity
99.81% (May vary between batches)
Solubility
DMSO:200 mg/mL (1514.35 mM)
Smiles
C (O) (=O) [C@H]1[C@@H] (C (O) =O) O1
Molecular Formula
C4H4O5
Molecular Weight
132.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

cis-Epoxysuccinate
CAS Number16533-72-5
PubChem CID2734802
IUPAC Name(2R,3S)-oxirane-2,3-dicarboxylic acid
Molecular FormulaC4H4O5
Molecular Weight132.07
XLogP-0.9
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity144
SMILES
[C@@H]1([C@H](O1)C(=O)O)C(=O)O
InChI
InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
InChIKey
DCEMCPAKSGRHCN-XIXRPRMCSA-N
Chemical Structure
2D Structure
2D structure of cis-Epoxysuccinate
CAS: 16533-72-5
CID: 2734802
Formula: C4H4O5
MW: 132.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.07
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass132.00587322
Monoisotopic Mass132.00587322
Topological Polar Surface Area87.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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