BAY-598

Alternative_name

BAY598, (S,E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide
Description

BAY-598 is a potent and selective competitive inhibitor of SMYD2 lysine methyltransferase (IC₅₀ values are 27 and 58 nM for biochemical and cellular activity assays, respectively). It displays >100-fold selectivity for SMYD2 over a panel of 32 other methyltransferases including SMYD3, SUV420H1, and SUV420H2. Decreases p53K370me levels in HEK293 cells. Reduces methylation in tumor cells in a mouse xenograft model.
CAS Number

1906919-67-2
Structure Available

Yes
Salt Form

No
Molecular Formula

C₂₂H₂₀Cl₂F₂N₆O₃
Molecular Weight

525.34
Cell Permeable

True
Purity

≥98% by HPLC
Solubilities

>40 mg/ml DMSO
Handling

Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.
Tag Line

A potent, selective and competitive inhibitor of SMYD2 lysine methyltransferase
Storage Condition

-20ºC
Shipping Condition

Gel Pack
Shelf Life

36 months
PubChem CID

117072551
PubChem CID Link
SMILES

CCN(C1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO
InChi

InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1
InChi Key

OTTJIRVZJJGFTK-SFHVURJKSA-N
Data Sheet Link
MSDS Available

1