2,4-Pyridinedicarboxylic acid monohydrate

Base Information

• Chemical Name: 2,4-Pyridinedicarboxylic acid monohydrate
• CAS No.: 207671-42-9
• Molecular Formula: C7H7NO5
• Molecular Weight: 185.13
• Hs Code.: 2933399090
• European Community (EC) Number: 629-130-1
• DSSTox Substance ID: DTXSID70585258
• Mol file: 207671-42-9.mol

Synonyms:207671-42-9;2,4-Pyridinedicarboxylic acid monohydrate;pyridine-2,4-dicarboxylic acid hydrate;2,4-Pyridinedicarboxylic Acid Hydrate;pyridine-2,4-dicarboxylic acid;hydrate;HDM Inhibitor, 2,4-PDCA;2,4-Pyridinedicarboxylic acid, hydrate (1:1);PYRIDINE-2,4-DICARBOXYLIC ACID MONOHYDRATE;MFCD00149413;2,4-lutidinic acid hydrate;SCHEMBL2650345;DTXSID70585258;PLNFTNOXJDBMSM-UHFFFAOYSA-N;AKOS015966249;SB53388;AS-19077;PD117535;Pyridine-2,4-dicarboxylic acid--water (1/1);2,4-Pyridinedicarboxylic acid monohydrate, 98%;A918915;J-200039

Chemical Property of 2,4-Pyridinedicarboxylic acid monohydrate

Chemical Property:

• Vapor Pressure: 8.31E-19mmHg at 25°C
• Melting Point: 246-248 °C
• Boiling Point: 668.9 °C at 760 mmHg
• Flash Point: 358.4 °C
• PSA: 96.72000
• LogP: 0.41370
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 185.03242232
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

2,4-Pyridinedicarboxylic acid monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1C(=O)O)C(=O)O.O
• Description: 2,4-Pyridinedicarboxylic Acid (2,4-PDCA) is a compound that structurally mimics 2-oxoglutarate (2-OG, also known as α-ketoglutarate) and chelates zinc, thus affecting a range of enzymes. As a 2-OG mimic, it blocks the activity of 2-OG oxygenases, which include certain lysine demethylases and a variety of hydroxylases (e.g., prolyl, collagen, lysyl). 2,4-PDCA inhibits several Jumonji domain-containing lysine demethylases when used at low micromolar concentrations. Through its effects on hydroxylases, including prolyl hydroxlase 1 (IC50 = 1.5 μM), 2,4-PDCA modulates hypoxia-inducible factor turnover, collagen synthesis, and plant cell wall formation. It can inhibit zinc-dependent enzymes, like metallo-β-lactamase. 2,4-PDCA also affects and is translocated by organic anion transporters.

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