ChemicalBook--->CAS DataBase List--->1502816-23-0

1502816-23-0

1502816-23-0 Structure

1502816-23-0 Structure
IdentificationBack Directory
[Name]

MS049
[CAS]

1502816-23-0
[Synonyms]

MS049
MS049 2HCl
MS049;MS-049;MS 049
2-[4-(benzyloxy)piperidin-1-yl]ethyl}(methyl)amine
1-Piperidineethanamine, N-methyl-4-(phenylmethoxy)-
[Molecular Formula]

C15H24N2O
[MOL File]

1502816-23-0.mol
[Molecular Weight]

248.36
Chemical PropertiesBack Directory
[Boiling point ]

352.6±37.0 °C(Predicted)
[density ]

1.03±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: ≥ 31 mg/mL (124.82 mM)
[form ]

Solid
[pka]

10.48±0.10(Predicted)
[color ]

Light yellow to yellow
[Water Solubility ]

H2O: 20mg/mL, clear
[InChI]

1S/C15H24N2O.ClH/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;1H
[InChIKey]

FJZNVFFTIKWXMA-UHFFFAOYSA-N
[SMILES]

CNCCN(CC1)CCC1OCC2=CC=CC=C2.[H]Cl
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310+P330-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

MS049 is a potent, selective, and cell-active dual inhibitor of PRMT4 and PRMT6 with IC50s of 34 nM and 43 nM, respectively. MS049 reduces levels of Med12me2a and H3R2me2a in HEK293 cells. MS049 is not toxic and does not affect the growth of HEK293 cells[1].
[Biological Activity]

MS049 is a potent and selective inhibitor of protein arginine methyltransferases (PRMTs) PRMT 4 and PRMT6. MS049 is active in cells. For full characterization detailsplease visit the MS049 probe summary on the Structural Genomics Consortium (SGC) website.

MS049N is the negative control for the active probeMS049. To request a sample of the negative control from the SGCclick here.

To learn about other SGC chemical probes for epigenetic targetsvisit sigma.com/sgc
[IC 50]

PRMT4: 34 nM (); PRMT6: 43 nM (); PRMT8: 1600 nM ()
[References]

[1] Shen Y et al. Discovery of a Potent, Selective, and Cell-Active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6. J Med Chem. 2016 Sep 15. DOI:10.1021/acs.jmedchem.6b01033
Spectrum DetailBack Directory
[Spectrum Detail]

MS049(1502816-23-0)1HNMR
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