DHODH-IN-14

SKU: orb1709881

Description

DHODH-IN-14 is a hydroxyfuran pyrimidine analog and a potent inhibitor of dihydroorotate dehydrogenase (DHODH), exhibiting an IC50 of 0.49 μM against the mouse liver enzyme. This small molecule inhibitor is utilized in research areas such as immunology and rheumatology, particularly for investigating rheumatoid arthritis mechanisms in cellular and animal models.

Research Area

Cell Biology, Metabolism Research, Molecular Biology

Key Properties

• CAS Number: 1364791-93-4
• MW: 353.23
• Purity: 99.81% (May vary between batches)
• Formula: C₁₅H₇F₄N₃O₃
• SMILES: FC1=C(C(F)=C(F)C(NC(=O)C=2C(=O)NON2)=C1F)C3=CC=CC=C3
• Target: Dehydrogenase,DNA/RNA Synthesis
• Solubility: DMSO:50 mg/mL (141.55 mM)

Bioactivity

• Target IC50:
  DHODH (rat liver):0.49 μM
• In Vitro:
  DHODH-IN-14 is a hydroxyfuran analog of A771726, which contains a biphenyl scaffold with a fluorine substituent. Turning to the derivative DHODH-IN-14, no major differences were observed between the poses obtained on 1UUO and 1D3G. In both cases, it was found that DHODH-IN-14 was bound in a BQN-like manner, that is, the deprotonated hydroxyfuran part faced Arg136, thus effectively mimicking the carboxyl groups of BQN and related compounds. Although it was not found on 1D3G and 1UUO that hydroxyfuran interacted with Tyr356 in a similar way to leflunomide, when 2BXV was used as a docking target, a large portion of such postures were found.
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Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

DHODH, DHODH IN 14, DHODHIN14, DHODH-IN-14, Rat liver DHODH

Compound Identifiers

PubChem CID

57381314