ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate

• 常用名: ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate
• 英文名: ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate
• CAS号: 138355-95-0
• 分子量: 563.59500
• 密度: 1.292g/cm3
• 沸点: 750.6ºC at 760mmHg
• 分子式: C₃₁H₃₃NO₉
• 熔点: N/A
• 闪点: 407.7ºC

名称

• 英文名: ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate

物理化学性质

• 密度: 1.292g/cm3
• 沸点: 750.6ºC at 760mmHg
• 分子式: C₃₁H₃₃NO₉
• 分子量: 563.59500
• 闪点: 407.7ºC
• 精确质量: 563.21600
• PSA: 121.78000
• LogP: 4.76420
• InChIKey: BWOFWMGBPOUISW-GVQBMFDGSA-N
• SMILES: CCOC(=O)c1ccc(NC2c3cc(OC)c(OC)cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)cc1
• 蒸汽压: 2.62E-23mmHg at 25°C
• 折射率: 1.607

靶点实验

查看更多实验

实验名称：Inhibition of human DNA Topoisomerase II 来源：ChEMBL 靶标：DNA topoisomerase 2-beta External Id：CHEMBL669723

实验名称：Therapeutic index (IC50/EC50) 来源：ChEMBL 靶标：N/A External Id：CHEMBL840314

实验名称：Effect on cellular protein DNA complex formation(%) at 10 uM in comparison with etopo... 来源：ChEMBL 靶标：Nucleic Acid External Id：CHEMBL662925

实验名称：Concentration required for 50% reduction in KB cell number after 3-day incubation 来源：ChEMBL 靶标：N/A External Id：CHEMBL705961

实验名称：HIV Cellular Data 来源：NIAID 靶标：N/A External Id：HIV Cellular Data

共5条，当前第1页，共1页

1

英文别名

• 6,7-O,O-demethylene-4'-O-demethylepipodophyllotoxin