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BAY-598
- Optical Purity: 99% e.e.
- Soluble in DMSO
- MF: C22H20Cl2F2N6O3
- MW: 525.34
Description
BAY-598 is a potent, selective, and cell-active, substrate-competitive inhibitor of SMYD2 (IC50 values of 27 nM and 58 nM for biochemical and cellular activity, respectively). BAY-598 also shows PAR1 antagonism, but there is a greater than 50-fold selectivity for SMYD2 relative to PAR1.
More Information
| Parent CAS No. | 1906919-67-2 |
|---|---|
| Chemical Name | (S)-N-(1-(N'-Cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide |
| SMILES | C1(C2C=C(Cl)C(Cl)=CC=2)[C@@H](N(CC)C(CO)=O)CN(/C(=NC#N)/NC2C=CC=C(OC(F)F)C=2)N=1 |&1:9,r| |
| MFCD | N.A. |
| 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 |
| InChiKey | OTTJIRVZJJGFTK-SFHVURJKSA-N |
| CID | 117072551 |
| Short Description | SMYD2 inhibitor |
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