(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

• 常用名: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
• 英文名: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
• CAS号: 127882-83-1
• 分子量: 508.54000
• 密度: 1.52g/cm3
• 沸点: 735.2ºC at 760mmHg
• 分子式: C₂₇H₂₄O₈S
• 熔点: N/A
• 闪点: 398.4ºC

名称

• 英文名: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

物理化学性质

• 密度: 1.52g/cm3
• 沸点: 735.2ºC at 760mmHg
• 分子式: C₂₇H₂₄O₈S
• 分子量: 508.54000
• 闪点: 398.4ºC
• 精确质量: 508.11900
• PSA: 128.98000
• LogP: 4.61180
• InChIKey: LMBVICULWBZMLW-DLTDCEFJSA-N
• SMILES: COc1cc(C2c3cc4c(cc3C(Sc3ccc(O)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O
• 蒸汽压: 2.41E-22mmHg at 25°C
• 折射率: 1.715

靶点实验

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实验名称：Inhibition of cellular protein-DNA complex formation at 10 uM 来源：ChEMBL 靶标：Nucleic Acid External Id：CHEMBL662928

实验名称：Compound tested for ability to form a cellular covalent topoisomerase II-DNA complex. 来源：ChEMBL 靶标：DNA topoisomerase 2-beta External Id：CHEMBL809380

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

实验名称：Concentration for 50% reduction in cell number after 3-day incubation 来源：ChEMBL 靶标：N/A External Id：CHEMBL702993

实验名称：Cytotoxicity against H9 cell line 来源：ChEMBL 靶标：H9 External Id：CHEMBL685387

实验名称：Inhibitory activity against human DNA topoisomerase II 来源：ChEMBL 靶标：DNA topoisomerase 2-beta External Id：CHEMBL669726

实验名称：Percentage of intracellular covalent DNA-topoisomerase II complexes formed 来源：ChEMBL 靶标：DNA topoisomerase 2-beta External Id：CHEMBL668904

实验名称：Evaluation for anti-HIV activity using T cell line (H9). 来源：ChEMBL 靶标：H9 External Id：CHEMBL683257

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

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