Valdecoxib , ≥99% , 181695-72-7

Synonym(s):
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

CAS NO.：181695-72-7

Empirical Formula: C16H14N2O3S

Molecular Weight: 314.36

MDL number: MFCD00950568

EINECS: 803-082-3

PRODUCT Properties

• Melting point: 162-164°C
• Boiling point: 481.2±55.0 °C(Predicted)
• Density: 1.303±0.06 g/cm3(Predicted)
• storage temp.: room temp
• solubility: DMSO: >25mg/mL
• form: powder
• pka: 9.83±0.10(Predicted)
• color: white to off-white
• InChI: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
• InChIKey: LNPDTQAFDNKSHK-UHFFFAOYSA-N
• SMILES: C1(S(N)(=O)=O)=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1

Description and Uses

Valdecoxib is a second-generation COX-2 inhibitor, developed as a follow-up to celecoxib for the oral once-daily treatment of osteoarthritis, adult rheumatoid arthritis and menstrual pain. Valdecoxib is approximately 28,000-fold more selective against human recombinant COX-2 than human recombinant COX-1. In an ex viva human whole blood assay, the I&O values against COX-2 and COX-1 were respectively 0.89 PM and 25.4 FM. In animal models, valdecoxib possesses excellent oral activity as an antiinflammatory. In rats, valdecoxib potently inhibited carrageenan footpad edema and adjuvant-induced arthritis.

Valdecoxib is a nonsteroidal anti-inflammatory drug (NSAID) that exhibits anti-inflammatory, analgesic and antipyretic properties in animal models. It is a potent and selective inhibitor of prostaglandin synthesis primarily through inhibition of COX-2. Valdecoxib is used to relieve some symptoms caused by arthritis (rheumatism), such as inflammation, swelling, stiffness, and joint pain.

Safety

• Symbol(GHS): GHS08,GHS09
• Signal word: Warning
• Hazard statements: H361d-H373-H410
• Precautionary statements: P201-P202-P260-P273-P280-P308+P313
• Hazard Codes: Xn,N
• Risk Statements: 63-48/22-51/53
• Safety Statements: 36/37-61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3