1906920-28-2
1906920-28-2 structure
- Name: BAY-598 R-isomer
- Chemical Name: (R)-BAY-598
- CAS Number: 1906920-28-2
- Molecular Formula: C22H20Cl2F2N6O3
- Molecular Weight: 525.335
- Create Date: 2021-01-08 07:31:20
- Modify Date: 2024-01-20 01:37:45
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BAY-598 R-isomer is the R-isomer of BAY589. BAY-598 R-isomer may be used as a reference compound. BAY-598 is a potent, peptide-competitive chemical probe for SMYD2. BAY-598 has a unique chemotype relative to the current SMYD2 chemical probe LLY-507. BAY-598 inhibits in vitro methylation of p53K370 with IC50 = 27 nM and has more than 100-fold selectivity over other histone methyltransferases and other non-epigenetic targets. BAY-598 inhibits the methylation of p53K370 in cells with IC50 < 1 μM. (Further to this, BAY-598 has properties that are compatible with in vivo experiments.) A control compound, BAY-369, has also been developed. BAY-369 inhibits the in vitro methylation of p53K370 with IC50 > 70 micromolar.
| Name | (R)-BAY-598 |
|---|---|
| Synonyms |
Acetamide, N-[(4R)-1-[(Z)-(cyanoimino)[[3-(difluoromethoxy)phenyl]amino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxy-
N-[(4R)-1-{N'-Cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide (R)-BAY-598 |
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 651.3±65.0 °C at 760 mmHg |
| Molecular Formula | C22H20Cl2F2N6O3 |
| Molecular Weight | 525.335 |
| Flash Point | 347.7±34.3 °C |
| Exact Mass | 524.094177 |
| LogP | 2.43 |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.629 |