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916482-17-2,MFCD18382121
Catalog No.:AA00GT90

916482-17-2 | YS121

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Purity
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1mg
≥98%
in stock  
$79.00   $55.00
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5mg
≥98%
in stock  
$338.00   $236.00
- +
10mg
≥98%
in stock  
$600.00   $420.00
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25mg
≥98%
in stock  
$1,306.00   $914.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00GT90
Chemical Name:
YS121
CAS Number:
916482-17-2
Molecular Formula:
C20H26ClN3O2S
Molecular Weight:
407.9573
MDL Number:
MFCD18382121
SMILES:
CCCCCCC(C(=O)O)Sc1nc(Cl)cc(n1)Nc1cccc(c1C)C
Properties
Computed Properties
 
Complexity:
457  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
XLogP3:
7.1  

Literature

Title: Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1).

Journal: Journal of medicinal chemistry 20120426

Title: Tertiary alkylamines as nucleophiles in substitution reactions at heteroaromatic halide during the synthesis of the highly potent pirinixic acid derivative 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid (YS-121).

Journal: Molecules (Basel, Switzerland) 20111205

Title: Rational design of a pirinixic acid derivative that acts as subtype-selective PPARgamma modulator.

Journal: Bioorganic & medicinal chemistry letters 20100415

Title: The molecular pharmacology and in vivo activity of 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid (YS121), a dual inhibitor of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase.

Journal: The Journal of pharmacology and experimental therapeutics 20100301

Title: Grand challenges in pharmacotherapy of inflammation for the first decades of the 21st century.

Journal: Frontiers in pharmacology 20100101

Title: Pirinixic acid derivatives as novel dual inhibitors of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase.

Journal: Journal of medicinal chemistry 20081225

Title: Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid.

Journal: Journal of medicinal chemistry 20080911

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