MS049
A chemical probe for PRMT4 and PRMT6
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overview
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properties
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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 weight | 248.2 |
Molecular formula | C15H24N2O |
IUPAC name | 1-(2-methylamino-ethyl)-4-(phenyl-methoxy)-piperidine |
MollogP | 1.545 |
PSA | 22.78 |
No. of chiral centres | 0 |
No. of rotatable bonds | 6 |
No. of hydrogen bond acceptors | 3 |
No. of hydrogen bond donors | 1 |
- SMILES:
- MS049: CNCCN1CCC(CC1)OCc1ccccc1
- 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
references
- 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.