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586379-66-0,MFCD18251426
Catalog No.:AA00EF6U

586379-66-0 | Ph-797804

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Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$63.00   $44.00
- +
5mg
≥98%
in stock  
$246.00   $172.00
- +
10mg
99%
in stock  
$284.00   $199.00
- +
50mg
99%
in stock  
$873.00   $611.00
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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:
AA00EF6U
Chemical Name:
Ph-797804
CAS Number:
586379-66-0
Molecular Formula:
C22H19BrF2N2O3
Molecular Weight:
477.2987
MDL Number:
MFCD18251426
SMILES:
CNC(=O)c1ccc(c(c1)n1c(C)cc(c(c1=O)Br)OCc1ccc(cc1F)F)C
Properties
Properties
 
BP:
593.206 °C at 760 mmHg  
Form:
Solid  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
742  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
4.2  

Downstream Synthesis Route
C21H15BrClF2NO3 
  74-89-5    586414-49-5 

[1]Patent:WO2008/72079,2008,A2.Locationinpatent:Page/Pagecolumn31;32;36-37

[1]CurrentPatentAssignee:PFIZERINC-WO2008/72079,2008,A2Locationinpatent:Page/Pagecolumn37

[1]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.4066-4071

[1]Selness,ShaunR.;Devraj,RajeshV.;Devadas,Balekudru;Walker,JohnK.;Boehm,TerriL.;Durley,RichardC.;Shieh,Huey;Xing,Li;Rucker,PaulV.;Jerome,KevinD.;Benson,AlanG.;Marrufo,LauraD.;Madsen,HeatherM.;Hitchcock,Jeff;Owen,TomJ.;Christie,Lance;Promo,MicheleA.;Hickory,BrianS.;Alvira,Edgardo;Naing,Win;Blevis-Bal,Radhika;Messing,Dean;Yang,Jerry;Mao,MichaelK.;Yalamanchili,Gopi;VonderEmbse,Richard;Hirsch,Jeffrey;Saabye,Matthew;Bonar,Sheri;Webb,Elizabeth;Anderson,Gary;Monahan,JosephB.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#13,p.4066-4071]

[1]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.4066-4071

Literature

Title: Hope HR, et al. Anti-inflammatory properties of a novel N-phenyl pyridinone inhibitor of p38 mitogen-activated protein kinase: preclinical-to-clinical translation. J Pharmacol Exp Ther, 2009, 331(3), 882-895.

Title: Xing L, et al. Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 2009, 48(27), 6402-6411.

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