BAY-598 R-isomer
Modify Date: 2024-01-20 01:37:45
BAY-598 R-isomer structure
|
Common Name | BAY-598 R-isomer | ||
|---|---|---|---|---|
| CAS Number | 1906920-28-2 | Molecular Weight | 525.335 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 651.3±65.0 °C at 760 mmHg | |
| Molecular Formula | C22H20Cl2F2N6O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 347.7±34.3 °C | |
Use of BAY-598 R-isomerBAY-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 |
|---|---|
| Synonym | More Synonyms |
| 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 |
| 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 |