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Valdecoxib

Base Information Edit
  • Chemical Name:Valdecoxib
  • CAS No.:181695-72-7
  • Molecular Formula:C16H14N2O3S
  • Molecular Weight:314.365
  • Hs Code.:2935009090
  • European Community (EC) Number:448-010-8,803-082-3
  • NSC Number:759846
  • UNII:2919279Q3W
  • DSSTox Substance ID:DTXSID6044226
  • Nikkaji Number:J1.302.764A
  • Wikipedia:Category:COX-2_inhibitors,Valdecoxib
  • Wikidata:Q347613
  • NCI Thesaurus Code:C1869
  • Pharos Ligand ID:WWS5U28AU3GJ
  • Metabolomics Workbench ID:38715
  • ChEMBL ID:CHEMBL865
  • Mol file:181695-72-7.mol
Valdecoxib

Synonyms:Bextra;SC 65872;SC-65872;valdecoxib

Suppliers and Price of Valdecoxib
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Valdecoxib
  • 50mg
  • $ 375.00
  • Tocris
  • Valdecoxib ≥99%(HPLC)
  • 50
  • $ 657.00
  • Tocris
  • Valdecoxib ≥99%(HPLC)
  • 10
  • $ 156.00
  • Sigma-Aldrich
  • Valdecoxib ≥98% (HPLC)
  • 5mg
  • $ 122.00
  • Sigma-Aldrich
  • Valdecoxib analytical standard
  • 5mg
  • $ 118.00
  • Sigma-Aldrich
  • Valdecoxib ≥98% (HPLC)
  • 25mg
  • $ 487.00
  • Labseeker
  • Valdecoxib 99
  • 5g
  • $ 369.00
  • DC Chemicals
  • Valdecoxib >98%
  • 100 mg
  • $ 400.00
  • Crysdot
  • Valdecoxib 97%
  • 50mg
  • $ 353.00
  • ChemScene
  • Valdecoxib 99.96%
  • 10mg
  • $ 106.00
Total 130 raw suppliers
Chemical Property of Valdecoxib Edit
Chemical Property:
  • Appearance/Colour:White crystalline powder 
  • Vapor Pressure:2.03E-09mmHg at 25°C 
  • Melting Point:162-164 °C 
  • Refractive Index:1.608 
  • Boiling Point:481.191 °C at 760 mmHg 
  • PKA:9.83±0.10(Predicted) 
  • Flash Point:244.815 °C 
  • PSA:94.57000 
  • Density:1.303 g/cm3 
  • LogP:4.74550 
  • Storage Temp.:Store at RT 
  • Solubility.:DMSO: >25mg/mL 
  • XLogP3:2.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:314.07251349
  • Heavy Atom Count:22
  • Complexity:462
Purity/Quality:

99%min *data from raw suppliers

Valdecoxib *data from reagent suppliers

Safty Information:
  • Pictogram(s): Xn,N 
  • Hazard Codes:Xn,N 
  • Statements: 63-48/22-51/53 
  • Safety Statements: 36/37-61 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
  • Recent ClinicalTrials:A Dose-Ranging Study Of Valdecoxib 5 Mg, 10 Mg, And 20 Mg Once Daily Versus Placebo In Patients With Osteoarthritis Of The Knee (Japan)
  • Recent EU Clinical Trials:RANDOMIZED, DOUBLE-BLIND, MULTICENTER STUDY OF THE EFFICACY, TOLERABILITY AND SAFETY OF VALDECOXIB (BEXTRA?)10 MG OD VS. DICLOFENAC SODIUM 50 MG TDS FOR 6 WEEKS IN SUBJECTS WITH OSTEOARTHRITIS OF THE KNEE.
  • Description 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.
  • Uses 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.
  • Clinical Use Valdecoxib is approved for the relief of the signs and symptoms of osteoarthritis and adult rheumatoid arthritis and for the treatment of primary dysmenorrhea. Valdecoxib is contraindicated for the treatment of postoperative pain immediately following coronary artery bypass graft surgery.
Technology Process of Valdecoxib

There total 45 articles about Valdecoxib which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; In 1,4-dioxane; at 85 ℃; for 21h;
DOI:10.1016/j.tet.2005.05.015
Guidance literature:
5-methyl-3,4-diphenyl isoxazole; With chlorosulfonic acid; at 25 - 60 ℃; for 1.5h; Large scale;
With ammonium hydroxide; In dichloromethane; at 25 - 35 ℃; for 2h; Large scale;
Guidance literature:
With ammonia; In ethyl acetate; at 20 - 25 ℃; for 2h;
Refernces Edit
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