Mavacoxib

Base Information

• Chemical Name: Mavacoxib
• CAS No.: 170569-88-7
• Molecular Formula: C16H11F4N3O2S
• Molecular Weight: 385.342
• European Community (EC) Number: 815-059-5
• UNII: YFT7X7SR77
• DSSTox Substance ID: DTXSID90168880
• Nikkaji Number: J1.433.884E
• Wikipedia: Mavacoxib
• Wikidata: Q6794110
• NCI Thesaurus Code: C76639
• Pharos Ligand ID: DDAGJ9U3755L
• ChEMBL ID: CHEMBL28527
• Mol file: 170569-88-7.mol

Synonyms:4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide;mavacoxib

Chemical Property of Mavacoxib

Chemical Property:

• Melting Point: 167-169°C
• Boiling Point: 519.8±60.0 °C(Predicted)
• PKA: 9.67±0.10(Predicted)
• PSA: 86.36000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 5.12570
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 385.05081042
• Heavy Atom Count: 26
• Complexity: 579

Purity/Quality:

99%, ^*data from raw suppliers

Mavacoxib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F
• Uses: 4-[5-(4-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENE-1-SULFONAMIDE is a long-acting COX-2 Inhibitor and is developed as a veterinary drug used to treat pain and inflammation with degenerative joint disease for dogs. Mavacoxib is a long-acting COX-2 Inhibitor and is developed as a veterinary drug used to treat pain and inflammation with degenerative joint disease for dogs.

Technology Process of Mavacoxib

There total 14 articles about Mavacoxib 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:

Reference yield: 99.0%

N,N-dibenzyl-4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide → mavacoxib (170569-88-7)

Guidance literature:

With sulfuric acid; at 20 ℃; for 8h;

DOI:10.1016/j.tet.2015.09.007

Reference yield: 95.0%

5-(4-fluorophenyl)-3-(trifluoromethyl)isoxazole (70862-56-5) + 4-hydrazinobenzene-1-sulfonamide hydrochloride (17852-52-7,27918-19-0) → mavacoxib (170569-88-7)

Guidance literature:

With acetic acid; In ethanol; at 80 ℃; for 10h; regioselective reaction;

DOI:10.1021/acs.joc.0c02980

Reference yield: 82.0%

1-(4-fluorophenyl)-4,4,4-trifluoro-1,3-butanedione (582-65-0) + 4-hydrazinobenzene-1-sulfonamide hydrochloride (17852-52-7,27918-19-0) → mavacoxib (170569-88-7)

Guidance literature:

In methanol; water; at 120 ℃; for 0.221667h; under 24002.4 Torr; Flow reactor;

DOI:10.1021/acs.oprd.9b00212

upstream raw materials:

1-(4-fluorophenyl)-4,4,4-trifluoro-1,3-butanedione

4-hydrazinobenzene-1-sulfonamide hydrochloride

1-(4-fluorophenyl)ethanone

ethyl trifluoroacetate,

Downstream raw materials:

methanesulfonamide

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