MS049

MS049 A chemical probe for PRMT4 and PRMT6

This probe (hydrochloride) is available from Sigma and Cayman Chemical.

The control may be requested by clicking here.

  • overview
  • properties
  • references
overview
Probe Negative control

 

MS049

 

MS049N

The SGC in collaboration with the Icahn School of Medicine at Mount Sinai has developed MS049, a chemical probe for PRMT4 and PRMT6.  MS049 is a potent and selective inhibitor of PRMT4,6 and is active in cells.

Data relating to the discovery of this probe is being prepared for publication and its structure will be released on or before Dec 30, 2015.  In the meantime, in order to facilitate research by the community we are making this compound available through this website.

properties
Probe

MS049

Physical and chemical properties for MS049
Molecular weight248.2
Molecular formulaC15H24N2O
IUPAC name1-(2-methylamino-ethyl)-4-(phenyl-methoxy)-piperidine
MollogP1.545
PSA22.78
No. of chiral centres0
No. of rotatable bonds6
No. of hydrogen bond acceptors3
No. of hydrogen bond donors1
  • SMILES:
  • MS049: CNCCN1CCC(OCC2=CC=CC=C2)CC1
  • MS049N: COCCN1CCC(OCC2=CC=CC=C2)CC1
  • InChI:
  • MS049: InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
  • InChIKey:
  • MS049: HBOJWAYLSJLULG-UHFFFAOYSA-N
  • MS049N: MDKBNFXGBVKIHT-UHFFFAOYSA-N
selectivity profile
in vitro potency
cell based assay data
references
  1. Discovery of a Potent, Selective and Cell-active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6, Shen Y, Szewczyk MM, Eram MS, Smil D, Kaniskan HÜ, de Freitas RF, Senisterra G, Li F, Schapira M, Brown PJ, Arrowsmith CH, Barsyte-Lovejoy D, Liu J,Vedadi M, Jin J., J Med Chem. 2016 Sep 1.
pk properties
co-crystal structures
synthetic schemes
materials and methods
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