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Basic Description
| Synonyms | 2, 1,4-dihydro-4-oxo- | DS-1684 | UNII-1A59BH8SXE | 2,6-Pyridinedicarboxylic acid, 4-hydroxy- | Chelidamic acid hydrate | DTXSID00160451 | NCGC00015270-03 | 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid | BBL028110 | 1,4-Dihydro-4-oxopyridine-2,6-dicarb |
|---|---|
| Specifications & Purity | ≥95% |
| Biochemical and Physiological Mechanisms | Among the most potent of the tested "conformationally restricted glutamate analogs" as an inhibitor of glutamate decarboxylase |
| Shipped In | Normal |
| Product Description |
glutamate analogs as an inhibitor of glutamate decarboxylase. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Dihydropyridinecarboxylic acids and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Cyclic ketones Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
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Associated Targets(Human)
CHRM1
Tclin
Muscarinic acetylcholine receptor M1 (12690 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2D6
Tclin
Cytochrome P450 2D6 (33882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NFKB1
Tclin
Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALOX15
Tchem
Arachidonate 15-lipoxygenase (7108 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP1A2
Tchem
Cytochrome P450 1A2 (26471 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2C9
Tchem
Cytochrome P450 2C9 (32119 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2C19
Tchem
Cytochrome P450 2C19 (29246 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HEK293 (82097 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
POLI
Tchem
DNA polymerase iota (116820 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HOGA1
Tbio
Dihydrodipicolinate synthase-like, mitochondrial (14 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
EHMT2
Tchem
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TRPM7
Tchem
Transient receptor potential cation channel subfamily M member 7 (19 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SMN1
Tchem
Survival motor neuron protein (34246 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
BLM
Tchem
Bloom syndrome protein (4248 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
dapA
Dihydrodipicolinate synthase (65 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Escherichia coli (133304 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
pfk
6-phospho-1-fructokinase (7870 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Txnrd1
Thioredoxin reductase 1, cytoplasmic (45279 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
fba
Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488180874 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180874 |
| IUPAC Name | 4-oxo-1H-pyridine-2,6-dicarboxylic acid |
| INCHI | InChI=1S/C7H5NO5/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) |
| InChIKey | XTLJJHGQACAZMS-UHFFFAOYSA-N |
| Smiles | C1=C(NC(=CC1=O)C(=O)O)C(=O)O |
| Isomeric SMILES | C1=C(NC(=CC1=O)C(=O)O)C(=O)O |
| WGK Germany | 3 |
| Alternate CAS | 199926-39-1 |
| Molecular Weight | 183.12 (anhydrous basis） |
| Beilstein | 476229 |
| Reaxy-Rn | 476229 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=476229&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1314058 |
Certificate of Analysis | Jun 16, 2025 | C123343 |
| C1610168 |
Certificate of Analysis | Oct 08, 2023 | C123343 |
| E2323317 |
Certificate of Analysis | Apr 06, 2023 | C123343 |
| E2323336 |
Certificate of Analysis | Apr 06, 2023 | C123343 |
| E2323809 |
Certificate of Analysis | Apr 06, 2023 | C123343 |
| E2323318 |
Certificate of Analysis | Apr 06, 2023 | C123343 |
| E2323329 |
Certificate of Analysis | Apr 06, 2023 | C123343 |
| C2328051 |
Certificate of Analysis | Sep 11, 2021 | C123343 |
Chemical and Physical Properties
| Melt Point(°C) | 267 °C |
|---|---|
| Molecular Weight | 183.120 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 183.017 Da |
| Monoisotopic Mass | 183.017 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 320.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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