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959551-10-1,MFCD30738011
Catalog No.:AA01DU6Z

959551-10-1 | Nih-12848

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1mg
≥95%
in stock  
$53.00   $37.00
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5mg
≥95%
in stock  
$166.00   $116.00
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10mg
≥95%
in stock  
$230.00   $161.00
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25mg
≥95%
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$505.00   $353.00
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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:
AA01DU6Z
Chemical Name:
Nih-12848
CAS Number:
959551-10-1
Molecular Formula:
C20H14F3N3S
Molecular Weight:
385.4055
MDL Number:
MFCD30738011
SMILES:
FC(c1ccccc1c1nc(NCc2cccs2)c2c(n1)cccc2)(F)F
Properties
Computed Properties
 
Complexity:
490  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
5.6  

Downstream Synthesis Route

[1]Andrews,StephenP.;Boffey,HelenK.;Clarke,JonathanH.;Duce,James;Edwards,Simon;Green,Christopher;Howard,Tina;Ogg,Derek;Romero,Tamara;Rooney,TimothyP.C.;Scott,DuncanE.;Skidmore,John;Willems,HenrietteM.G.;Winpenny,David[JournalofMedicinalChemistry,2022,vol.65,#4,p.3359-3370]

[2]Dexheimer,ThomasS.;Rosenthal,AndrewS.;Luci,DianeK.;Liang,Qin;Villamil,MarkA.;Chen,Junjun;Sun,Hongmao;Kerns,EdwardH.;Simeonov,Anton;Jadhav,Ajit;Zhuang,Zhihao;Maloney,DavidJ.[JournalofMedicinalChemistry,2014,vol.57,#19,p.8099-8110]

Literature

Title: Synthesis and structure-activity relationship studies of N-benzyl-2-phenylpyrimidin-4-amine derivatives as potent USP1/UAF1 deubiquitinase inhibitors with anticancer activity against nonsmall cell lung cancer.

Journal: Journal of medicinal chemistry 20141009

Title: Identification of cariogenic bacteria by fluorescent antibody and other techniques: an international symposium. New York City, April 3-4, 1975. A summary and view of the future.

Journal: Journal of dental research 19760101

Title: Clarke JH, et al. The function of phosphatidylinositol 5-phosphate 4-kinase γ (PI5P4Kγ) explored using a specific inhibitor that targets the PI5P-binding site. Biochem J. 2015 Mar 1;466(2):359-67.

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SDS
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