(3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
更新时间：2025-09-27 10:32:56
![(3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式](https://image.chemsrc.com/caspic/383/138355-97-2.png)
(3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式
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常用名 | (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one | 英文名 | (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one |
|---|---|---|---|---|
| CAS号 | 138355-97-2 | 分子量 | 509.52300 | |
| 密度 | 1.32g/cm3 | 沸点 | 696.4ºC at 760 mmHg | |
| 分子式 | C28H28FNO7 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 375ºC |
| 英文名 | (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one |
|---|
| 密度 | 1.32g/cm3 |
|---|---|
| 沸点 | 696.4ºC at 760 mmHg |
| 分子式 | C28H28FNO7 |
| 分子量 | 509.52300 |
| 闪点 | 375ºC |
| 精确质量 | 509.18500 |
| PSA | 95.48000 |
| LogP | 4.72660 |
| InChIKey | CSADSJIFHRWKJO-QNMIOERPSA-N |
| SMILES | COc1cc2c(cc1OC)C(c1cc(OC)c(O)c(OC)c1)C1C(=O)OCC1C2Nc1ccc(F)cc1 |
| 蒸汽压 | 4.87E-20mmHg at 25°C |
| 折射率 | 1.613 |
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~%
(3aS,4S,9R,9aR)... 138355-97-2 |
| 文献：Zhu, Xiao-Kang; Guan, Jian; Xiao, Zhiyan; Cosentino, L. Mark; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 15 p. 4267 - 4273 |
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~%
(3aS,4S,9R,9aR)... 138355-97-2 |
| 文献：Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877 |
|
~%
(3aS,4S,9R,9aR)... 138355-97-2 |
| 文献：Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877 |
|
~%
(3aS,4S,9R,9aR)... 138355-97-2 |
| 文献：Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877 |
![(3aR)-3a,4,9,9aα-Tetrahydro-4β-hydroxy-6,7-dimethoxy-9β-(3,4,5-trimethoxyphenyl)naphtho[2,3-c]furan-1(3H)-one结构式](https://image.chemsrc.com/caspic/301/18651-67-7.png)
![(3aS,4S,9R,9aR)-4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式](https://image.chemsrc.com/caspic/045/138355-93-8.png)
![(3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式](https://image.chemsrc.com/caspic/105/138456-91-4.png)
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实验名称：Inhibition of human DNA Topoisomerase II
来源：ChEMBL
靶标：DNA topoisomerase 2-beta
External Id：CHEMBL669723
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实验名称：Evaluation for anti-HIV activity using T cell line (H9).
来源：ChEMBL
靶标：H9
External Id：CHEMBL683257
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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
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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
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