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Home Other Building Blocks 1916571-90-8
1916571-90-8,MFCD30343875
Catalog No.:AA01EO2G

1916571-90-8 | NCT-503

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$27.00   $19.00
- +
5mg
97%
in stock  
$68.00   $48.00
- +
10mg
97%
in stock  
$87.00   $61.00
- +
25mg
97%
in stock  
$114.00   $80.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01EO2G
Chemical Name:
NCT-503
CAS Number:
1916571-90-8
Molecular Formula:
C20H23F3N4S
Molecular Weight:
408.4836
MDL Number:
MFCD30343875
SMILES:
Cc1cc(nc(c1)C)NC(=S)N1CCN(CC1)Cc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
514  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Rohde,JasonM.;Brimacombe,KyleR.;Liu,Li;Pacold,MichaelE.;Yasgar,Adam;Cheff,DorianM.;Lee,TobieD.;Rai,Ganesha;Baljinnyam,Bolormaa;Li,Zhuyin;Simeonov,Anton;Hall,MatthewD.;Shen,Min;Sabatini,DavidM.;Boxer,MatthewB.[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1727-1739]

[1]Rohde,JasonM.;Brimacombe,KyleR.;Liu,Li;Pacold,MichaelE.;Yasgar,Adam;Cheff,DorianM.;Lee,TobieD.;Rai,Ganesha;Baljinnyam,Bolormaa;Li,Zhuyin;Simeonov,Anton;Hall,MatthewD.;Shen,Min;Sabatini,DavidM.;Boxer,MatthewB.[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1727-1739]

[1]Rohde,JasonM.;Brimacombe,KyleR.;Liu,Li;Pacold,MichaelE.;Yasgar,Adam;Cheff,DorianM.;Lee,TobieD.;Rai,Ganesha;Baljinnyam,Bolormaa;Li,Zhuyin;Simeonov,Anton;Hall,MatthewD.;Shen,Min;Sabatini,DavidM.;Boxer,MatthewB.[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1727-1739]

CASUnavailable 
  1916571-90-8 

[1]Rohde,JasonM.;Brimacombe,KyleR.;Liu,Li;Pacold,MichaelE.;Yasgar,Adam;Cheff,DorianM.;Lee,TobieD.;Rai,Ganesha;Baljinnyam,Bolormaa;Li,Zhuyin;Simeonov,Anton;Hall,MatthewD.;Shen,Min;Sabatini,DavidM.;Boxer,MatthewB.[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1727-1739]

Literature

Title: Pacold ME, et al. A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate. Nat Chem Biol. 2016 Jun;12(6):452-8.

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