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MS049

CAT: 0804-HY-100360-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-100360-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS049, a chemical probe, 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].
CAS Number
1502816-23-0
UNSPSC
12352005
Hazard Statement
H301
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/MS049.html
Purity
98.0
Solubility
DMSO : ≥ 31 mg/mL|H2O : ≥ 100 mg/mL
Smiles
CNCCN1CCC(OCC2=CC=CC=C2)CC1
Molecular Formula
C15H24N2O
Molecular Weight
248.36
Precautions
H301
References & Citations
[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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PRMT4; PRMT6; PRMT8

Chemical Information

2-(4-(Benzyloxy)piperidin-1-yl)-N-methylethanamine
CAS Number1502816-23-0
PubChem CID53868701
IUPAC NameN-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine
Molecular FormulaC15H24N2O
Molecular Weight248.36
XLogP1.7
Topological Polar Surface Area24.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity209
SMILES
CNCCN1CCC(CC1)OCC2=CC=CC=C2
InChI
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
HBOJWAYLSJLULG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(Benzyloxy)piperidin-1-yl)-N-methylethanamine
CAS: 1502816-23-0
CID: 53868701
Formula: C15H24N2O
MW: 248.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.36
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass248.188863393
Monoisotopic Mass248.188863393
Topological Polar Surface Area24.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T4378-01MS049
C3776-10MS049 (hydrochloride)
A12160-50MS049 50mg
A12160-10MS049 10mg
M19404-01MS049 2HCl
T41292-01MS049 dihydrochloride

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