1906920-28-2

• 常用中文名：BAY-598 R-isomer
• 常用英文名：BAY-598 R-isomer
• CAS号：1906920-28-2
• 分子式：C₂₂H₂₀Cl₂F₂N₆O₃
• 分子量：525.335
• 发布时间：2021-01-08 07:31:20
• 更新时间：2024-01-20 01:37:45
• 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.

名称

• 英文名: (R)-BAY-598
• 英文别名: 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

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 651.3±65.0 °C at 760 mmHg
• 分子式: C₂₂H₂₀Cl₂F₂N₆O₃
• 分子量: 525.335
• 闪点: 347.7±34.3 °C
• 精确质量: 524.094177
• LogP: 2.43
• 蒸汽压: 0.0±2.1 mmHg at 25°C
• 折射率: 1.629