Dotinurad
CAS: 1285572-51-1
Category: Pharmaceutical Intermediates
| Purity | Reagent Grade ≥95%, Standard Grade ≥98%, High-Purity Grade ≥99%, Pharmaceutical Grade ≥98.0–102.0% |
| Molecular Formula | C14H9Cl2NO4S |
| Molecular Weight | 358.20 |
| Appearance | White to off-white crystalline powder or solid |
| Packaging | 1 mg/glass vial, 5 mg/glass vial, 10 mg/glass vial, 25 mg/glass vial, 50 mg/glass vial, 100 mg/glass vial, 250 mg/glass vial, 1 g/glass vial, 5 g/glass vial, 25 g/HDPE bottle, or 1 kg/aluminum foil bag |
| Testing Indicators | Appearance — Visual inspection (white to off-white crystalline powder); Melting point — Capillary method (decomposition >200°C, predicted); Purity — HPLC-UV (≥95–99.5%, C18 column, acetonitrile:buffer gradient, λ=220–254 nm); Related substances — HPLC (impurity profiling including 3,5-dichloro-4-hydroxybenzoic acid, aminothiophenol derivatives, and sulfone reduction products); Assay — RP-HPLC (linearity validated, recovery 98.0–102.0%); Loss on drying — Gravimetric (≤0.5%); Residue on ignition — Gravimetric (≤0.1%); Heavy metals — Colorimetric/ICP-MS (≤20 ppm); Chloride content — Limit test (≤0.1%); Identification — FTIR (characteristic peaks: phenolic O–H ~3200–3600 cm⁻¹, aromatic C–H ~3000–3100 cm⁻¹, amide C=O ~1650–1680 cm⁻¹, sulfone S=O ~1300–1350 cm⁻¹ and ~1150–1200 cm⁻¹, aromatic C=C ~1600 cm⁻¹, C–Cl ~800–900 cm⁻¹); UV spectrophotometry (λmax ~220–260 nm, phenolic chromophore); ¹H NMR (DMSO-d₆: δ 7.20–7.80 ppm multiplet aromatic protons, δ 10.50 ppm broad singlet phenolic OH, δ 4.80 ppm singlet benzylic CH₂ of benzothiazoline ring); ¹³C NMR (DMSO-d₆: δ 120–140 ppm aromatic carbons, δ 165 ppm amide C=O, δ 130 ppm sulfone C); Mass spectrometry — ESI-MS (m/z 358/360 [M+H]⁺, characteristic chlorine isotope pattern 3:1); Water content — Karl Fischer titration (GB/T 6283/EP 2.5.12); pH — Potentiometry (aqueous suspension, weakly acidic due to phenolic OH, pKa ~8.86); Specific optical rotation — Not applicable (achiral compound); Solubility — DMSO (65 mg/mL), DMF, methanol, ethanol, water (sparingly, 95 mg/L at 25°C). |
| Storage Notes | Store in a cool, dry, well-ventilated area at 2–8°C. Protect from light, moisture, and air. Keep container tightly sealed. Store powder at -20°C for long-term stability (up to 4 years); at 4°C for 2 years. Light-sensitive material; avoid prolonged exposure to light and humid conditions. The compound is sparingly soluble in water (95 mg/L at 25°C) and soluble in DMSO (65 mg/mL) and DMF. Store away from strong oxidizing agents, strong bases, and incompatible substances. Use inert atmosphere (nitrogen or argon) for long-term storage if available. |
| Lead Time | 10 days |
Dotinurad (INN, also known as FYU-981 or Urece) is a potent, selective urate transporter 1 (URAT1) inhibitor and a novel selective urate reabsorption inhibitor (SURI). It functions by suppressing uric acid reabsorption in the proximal renal tubules through both competitive (cis-) and noncompetitive (trans-) inhibition of URAT1, with an IC50 of 37.2 nM (0.0372 µM) for URAT1-mediated urate uptake. It exhibits high selectivity for URAT1 over other transporters including ABCG2 (IC50 = 4.16 µM), OAT1 (IC50 = 4.08 µM), and OAT3 (IC50 = 1.32 µM). Used as a pharmaceutical intermediate and active pharmaceutical ingredient (API) for the development and quality control of tablet formulations (e.g., Urece®). Approved in Japan in 2020 for the treatment of hyperuricemia and gout, irrespective of gout history. Also employed in analytical method development, pharmacokinetic-pharmacodynamic studies, forced degradation studies, and quality control applications. ATC code: M04AA04.