C8011

Chelidamic acid hydrate

≥95%, powder

• Synonym(s): 1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate, 4-Hydroxypyridine-2,6-dicarboxylic acid
• Empirical Formula (Hill Notation): C₇H₅NO₅ · xH₂O
• CAS Number: 138-60-3
• Molecular Weight: 183.12 (anhydrous basis)
• UNSPSC Code: 12352202
• NACRES: NA.77
• PubChem Substance ID: 24278338
• EC Number: 205-335-8
• Beilstein/REAXYS Number: 476229
• MDL number: MFCD03818117

Properties

• biological source: synthetic (organic)
• Quality Segment: 200
• assay: ≥95%
• form: powder
• color: brown
• mp: 267 °C (dec.) (lit.)
• solubility: 1 M NH4OH: 50 mg/mL, clear to slightly hazy
• SMILES string: O.OC(=O)C1=CC(=O)C=C(N1)C(O)=O
• InChI: 1S/C7H5NO5.H2O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);1H2
• InChI key: SNGPHFVJWBKEDG-UHFFFAOYSA-N

Description

Application

Chelidamic acid hydrate has been used in eluent solution as a complexing additive in high-performance chelation ion chromatography (HPCIC) for speciation of iron. It has also been used as an organic ligand for the polyoxometalate (POM)-based lanthanoid hybrid compounds.[1]

Biochem/physiol Actions

Chelidamic acid (CDA), a hydroxylated derivative of 2,6-pyridine-dicarboxylic acid (DPA)[2], is a trianionic chelating agent.[3]

Among the most potent of the tested "conformationally restricted glutamate analogs" as an inhibitor of glutamate decarboxylase.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves