An inhibitor of SMYD2
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(S)-BAY-598

Item No. 18238

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(S,Z)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide
CAS Number
1906919-67-2
Molecular Formula
C22H20Cl2F2N6O3
Formula Weight
525.3
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/ml
λmax
239, 324 nm
SMILES
ClC1=C(Cl)C=CC(C2=NN(/C(NC3=CC=CC(OC(F)F)=C3)=N\C#N)C[C@@H]2N(C(CO)=O)CC)=C1
InChi Code
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
Shipping & Storage Information
Storage
2°C to 8°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    500 µg

    $41

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    1 mg

    $72

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    5 mg

    $293

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    10 mg

    $544

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    Product Description

    (S)-BAY-598 is a selective inhibitor of SMYD2. It inhibits the methylation of p53 at lysine 370 in vitro and in whole cells with IC50 values of 27 nM and <1 µM, respectively.1 (S)-BAY-598 exhibits 100-fold selectivity for SMYD2 over other histone methyltransferases and non-epigenetic enzymes. For more information on (S)-BAY-598 please visit the Structural Genomics Consortium (SGC). The negative control, BAY-369, for (S)-BAY-598 is also available exclusively through the SGC. You can submit a request to receive the negative control here.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Eggert, E., Hillig, R.C., Koehr, S., et al. Discovery and characterization of a highly potent and selective aminopyrazoline-based in vivo probe (BAY-598) for the protein lysine methyltransferase SMYD2. J. Med. Chem. 59(10), 4578-4600 (2016).