Darbufelone mesylate

SKU: orb1709928

Description

Darbufelone mesylate (CI-1004 mesylate) is a dual cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) inhibitor, selectively suppressing PGHS-2 (IC50 = 0.19 µM) over PGHS-1 (IC50 = 20 µM) and reducing PGF2α and LTB4 production. This small molecule is a useful research tool for investigating inflammatory pathways in both cellular and animal models of disease.

Research Area

Immunology & Inflammation, Pharmacology & Drug Discovery

Key Properties

• CAS Number: 139340-56-0
• MW: 428.57
• Purity: 99.92% (May vary between batches)
• Formula: C₁₉H₂₈N₂O₅S₂
• SMILES: CS(O)(=O)=O.CC(C)(C)c1cc(\C=C2/SC(N)=NC2=O)cc(c1O)C(C)(C)C
• Target: Prostaglandin Receptor,LTR,Leukotriene Receptor
• Solubility: H2O:<0.1 mg/mL;DMSO:100 mg/mL (233.33 mM)

Bioactivity

• Target IC50:
  A549 cells:20μM|PGHS2:0.19 μM|PGHS2:10±5 μM(Ki)|PGHS2:0.98 ± 0.03μM(Kd)|H520:21μM|PGHS1:20 μM
• In Vivo:
  Darbufelone, a dual inhibitor of cellular PGF2R and LTB4 production, exhibits oral activity in animal models of inflammation and arthritis without causing ulcers. When mice were treated with bufafenone at a dose of 80 mg/kg/day, the tumor volume decreased in a time-dependent manner. In contrast, lower doses of bufafenone (20 or 40 mg/kg/day) did not significantly inhibit tumor weight. At necropsy, the tumor weight of mice treated with bufafenone (80 mg/kg/day) was reduced by 30.2% compared to the control group.
• In Vitro:
  Darbufelone, a noncompetitive inhibitor of PGHS-2 with a Ki value of 10±5 μM, exhibits fluorescence quenching of PGHS-2 at 325 nm (λex=280 nm) with a Kd of 0.98±0.03 μM. To assess the putative anti-proliferative effect of Darbufelone, A549, H520, and H460 cell lines derived from three distinct pathological subtypes of non-small cell lung cancer (NSCLC) (adenocarcinoma, squamous, and large cell lung cancer, respectively) are utilized. The cell lines are treated with increasing concentrations of Darbufelone, ranging from 5 to 60 μM, for a duration of 72 hours. The growth inhibition of these three cell lines gradually increases with higher concentrations of the drug. The IC50 values for A549 and H520 are 20±3.6 and 21±1.8 μM, respectively, while H460 exhibits a lower IC50 of 15±2.7 μM.

Storage & Handling

• Storage: store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

CI 1004 Mesylate, CI1004 Mesylate, CI-1004 Mesylate, CI-1004 mesylate, Darbufelone Mesylate, LTB4, PGF2α, Prostaglandin Receptor, ProstaglandinReceptor

Compound Identifiers

PubChem CID

137319701