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1435467-37-0,MFCD30533689
Catalog No.:AA009VQZ

1435467-37-0 | PF-06282999

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Purity
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Price(USD)
Quantity
  
5mg
98+%
in stock  
$35.00   $25.00
- +
10mg
98+%
in stock  
$53.00   $37.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009VQZ
Chemical Name:
PF-06282999
CAS Number:
1435467-37-0
Molecular Formula:
C13H12ClN3O3S
Molecular Weight:
325.7707
MDL Number:
MFCD30533689
SMILES:
COc1ccc(cc1c1cc(=O)[nH]c(=S)n1CC(=O)N)Cl
Properties
Computed Properties
 
Complexity:
497  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:PFIZERINC-US2013/123230,2013,A1

[2]Ruggeri,RogerB.;Buckbinder,Leonard;Bagley,ScottW.;Carpino,PhilipA.;Conn,EdwardL.;Dowling,MatthewS.;Fernando,DilinieP.;Jiao,Wenhua;Kung,DanielW.;Orr,SuviT.M.;Qi,Yingmei;Rocke,BenjaminN.;Smith,Aaron;Warmus,JosephS.;Zhang,Yan;Bowles,Daniel;Widlicka,DanielW.;Eng,Heather;Ryder,Tim;Sharma,Raman;Wolford,Angela;Okerberg,Carlin;Walters,Karen;Maurer,TristanS.;Zhang,Yanwei;Bonin,PaulD.;Spath,SamanthaN.;Xing,Gang;Hepworth,David;Ahn,Kay;Kalgutkar,AmitS.[JournalofMedicinalChemistry,2015,vol.58,#21,p.8513-8528]

[1]CurrentPatentAssignee:PFIZERINC-US2013/123230,2013,A1

[1]Ruggeri,RogerB.;Buckbinder,Leonard;Bagley,ScottW.;Carpino,PhilipA.;Conn,EdwardL.;Dowling,MatthewS.;Fernando,DilinieP.;Jiao,Wenhua;Kung,DanielW.;Orr,SuviT.M.;Qi,Yingmei;Rocke,BenjaminN.;Smith,Aaron;Warmus,JosephS.;Zhang,Yan;Bowles,Daniel;Widlicka,DanielW.;Eng,Heather;Ryder,Tim;Sharma,Raman;Wolford,Angela;Okerberg,Carlin;Walters,Karen;Maurer,TristanS.;Zhang,Yanwei;Bonin,PaulD.;Spath,SamanthaN.;Xing,Gang;Hepworth,David;Ahn,Kay;Kalgutkar,AmitS.[JournalofMedicinalChemistry,2015,vol.58,#21,p.8513-8528]

[2]CurrentPatentAssignee:PFIZERINC-US2013/123230,2013,A1Locationinpatent:Paragraph0245;0246;0247

Literature

Title: Dong JQ, et al. Pharmacokinetics and Disposition of the Thiouracil Derivative PF-06282999, an Orally Bioavailable, Irreversible Inactivator of Myeloperoxidase Enzyme, Across Animals and Humans. Drug Metab Dispos. 2016 Feb;44(2):209-19.

Title: Ruggeri RB, et al. Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. J Med Chem. 20

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