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170569-88-7,MFCD28138640
Catalog No.:AA007U9M

170569-88-7 | Mavacoxib

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$428.00   $300.00
- +
250mg
95%
in stock  
$804.00   $563.00
- +
1g
95%
in stock  
$1,558.00   $1,091.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007U9M
Chemical Name:
Mavacoxib
CAS Number:
170569-88-7
Molecular Formula:
C16H11F4N3O2S
Molecular Weight:
385.3361
MDL Number:
MFCD28138640
SMILES:
Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F
Properties
Computed Properties
 
Complexity:
579  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Downstream Synthesis Route

[1]OrganicProcessResearchandDevelopment,2019,vol.23,p.1892-1899

[2]JournalofMedicinalChemistry,1997,vol.40,p.1347-1365

[3]Patent:US2005/222240,2005,A1.Locationinpatent:Page/Pagecolumn4-5

170569-88-7    74-88-4   
4-5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl-N-methylbenzenesulfonamide 
 
4-5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl-N,N-dimethylbenzenesulfonamide 

[1]Penning,ThomasD.;Talley,JohnJ.;Bertenshaw,StephenR.;Carter,JefferyS.;Collins,PaulW.;Docter,Stephen;Graneto,MatthewJ.;Lee,LenF.;Malecha,JamesW.;Miyashiro,JulieM.;Rogers,RolandS.;Rogier;Yu,StellaS.;Anderson,GaryD.;Burton,EarlG.;Cogburn,J.Nita;Gregory,SusanA.;Koboldt,CarolM.;Perkins,WilliamE.;Seibert,Karen;Veenhuizen,AmyW.;Zhang,YanY.;Isakson,PeterC.[JournalofMedicinalChemistry,1997,vol.40,#9,p.1347-1365]

[1]Penning,ThomasD.;Talley,JohnJ.;Bertenshaw,StephenR.;Carter,JefferyS.;Collins,PaulW.;Docter,Stephen;Graneto,MatthewJ.;Lee,LenF.;Malecha,JamesW.;Miyashiro,JulieM.;Rogers,RolandS.;Rogier;Yu,StellaS.;Anderson,GaryD.;Burton,EarlG.;Cogburn,J.Nita;Gregory,SusanA.;Koboldt,CarolM.;Perkins,WilliamE.;Seibert,Karen;Veenhuizen,AmyW.;Zhang,YanY.;Isakson,PeterC.[JournalofMedicinalChemistry,1997,vol.40,#9,p.1347-1365]

[2]Chiu,Hao-Chieh;Lee,Su-Lin;Kapuriya,Naval;Wang,Dasheng;Chen,Yi-Ru;Yu,Sung-Liang;Kulp,SamuelK.;Teng,Lee-Jene;Chen,Ching-Shih[BioorganicandMedicinalChemistry,2012,vol.20,#15,p.4653-4660]

[3]Sthalam,VinayKumar;Singh,AjayK.;Pabbaraja,Srihari[OrganicProcessResearchandDevelopment,2019,vol.23,#9,p.1892-1899]

383-63-1    403-42-9   
4-hydrazinobenzene-1-sulfonamidehydrochloride 
  170569-88-7 

[1]CurrentPatentAssignee:ZOETISINC.-US2005/222240,2005,A1Locationinpatent:Page/Pagecolumn5

[2]CurrentPatentAssignee:PFIZERINC-WO2003/99794,2003,A1Locationinpatent:Page43-44

Literature

Title: Population pharmacokinetics of mavacoxib in osteoarthritic dogs.

Journal: Journal of veterinary pharmacology and therapeutics 20110201

Title: The pharmacokinetics of mavacoxib, a long-acting COX-2 inhibitor, in young adult laboratory dogs.

Journal: Journal of veterinary pharmacology and therapeutics 20101001

Title: Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response.

Journal: Bioorganic & medicinal chemistry letters 20020211

Title: Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

Journal: Journal of medicinal chemistry 20010927

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SDS
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Tags:170569-88-7 Molecular Formula|170569-88-7 MDL|170569-88-7 SMILES|170569-88-7 Mavacoxib
Catalog No.: AA007U9M
170569-88-7,MFCD28138640
170569-88-7 | Mavacoxib
Pack Size： 100mg
Purity： 95%
in stock
$428.00 $300.00
Pack Size： 250mg
Purity： 95%
in stock
$804.00 $563.00
Pack Size： 1g
Purity： 95%
in stock
$1,558.00 $1,091.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007U9M
Chemical Name: Mavacoxib
CAS Number: 170569-88-7
Molecular Formula: C16H11F4N3O2S
Molecular Weight: 385.3361
MDL Number: MFCD28138640
SMILES: Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F
Properties
Complexity: 579  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
Downstream Synthesis Route
582-65-0    17852-52-7    170569-88-7 

[1]OrganicProcessResearchandDevelopment,2019,vol.23,p.1892-1899

[2]JournalofMedicinalChemistry,1997,vol.40,p.1347-1365

[3]Patent:US2005/222240,2005,A1.Locationinpatent:Page/Pagecolumn4-5

170569-88-7    74-88-4   
4-5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl-N-methylbenzenesulfonamide 
 
4-5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl-N,N-dimethylbenzenesulfonamide 

[1]Penning,ThomasD.;Talley,JohnJ.;Bertenshaw,StephenR.;Carter,JefferyS.;Collins,PaulW.;Docter,Stephen;Graneto,MatthewJ.;Lee,LenF.;Malecha,JamesW.;Miyashiro,JulieM.;Rogers,RolandS.;Rogier;Yu,StellaS.;Anderson,GaryD.;Burton,EarlG.;Cogburn,J.Nita;Gregory,SusanA.;Koboldt,CarolM.;Perkins,WilliamE.;Seibert,Karen;Veenhuizen,AmyW.;Zhang,YanY.;Isakson,PeterC.[JournalofMedicinalChemistry,1997,vol.40,#9,p.1347-1365]

403-42-9    170569-88-7 

[1]Penning,ThomasD.;Talley,JohnJ.;Bertenshaw,StephenR.;Carter,JefferyS.;Collins,PaulW.;Docter,Stephen;Graneto,MatthewJ.;Lee,LenF.;Malecha,JamesW.;Miyashiro,JulieM.;Rogers,RolandS.;Rogier;Yu,StellaS.;Anderson,GaryD.;Burton,EarlG.;Cogburn,J.Nita;Gregory,SusanA.;Koboldt,CarolM.;Perkins,WilliamE.;Seibert,Karen;Veenhuizen,AmyW.;Zhang,YanY.;Isakson,PeterC.[JournalofMedicinalChemistry,1997,vol.40,#9,p.1347-1365]

[2]Chiu,Hao-Chieh;Lee,Su-Lin;Kapuriya,Naval;Wang,Dasheng;Chen,Yi-Ru;Yu,Sung-Liang;Kulp,SamuelK.;Teng,Lee-Jene;Chen,Ching-Shih[BioorganicandMedicinalChemistry,2012,vol.20,#15,p.4653-4660]

[3]Sthalam,VinayKumar;Singh,AjayK.;Pabbaraja,Srihari[OrganicProcessResearchandDevelopment,2019,vol.23,#9,p.1892-1899]

383-63-1    403-42-9   
4-hydrazinobenzene-1-sulfonamidehydrochloride 
  170569-88-7 

[1]CurrentPatentAssignee:ZOETISINC.-US2005/222240,2005,A1Locationinpatent:Page/Pagecolumn5

[2]CurrentPatentAssignee:PFIZERINC-WO2003/99794,2003,A1Locationinpatent:Page43-44

Literature fold

Title: Population pharmacokinetics of mavacoxib in osteoarthritic dogs.

Journal: Journal of veterinary pharmacology and therapeutics20110201

Title: The pharmacokinetics of mavacoxib, a long-acting COX-2 inhibitor, in young adult laboratory dogs.

Journal: Journal of veterinary pharmacology and therapeutics20101001

Title: Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response.

Journal: Bioorganic & medicinal chemistry letters20020211

Title: Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

Journal: Journal of medicinal chemistry20010927

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