(8S,9S,13S,14S,17S)-13-methyl-4-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

• 常用名: (8S,9S,13S,14S,17S)-13-methyl-4-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• 英文名: (8S,9S,13S,14S,17S)-13-methyl-4-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• CAS号: 6936-94-3
• 分子量: 317.38000
• 密度: 1.298g/cm3
• 沸点: 463.9ºC at 760 mmHg
• 分子式: C₁₈H₂₃NO₄
• 熔点: N/A
• 闪点: 187ºC

名称

• 英文名: (8S,9S,13S,14S,17S)-13-methyl-4-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

物理化学性质

• 密度: 1.298g/cm3
• 沸点: 463.9ºC at 760 mmHg
• 分子式: C₁₈H₂₃NO₄
• 分子量: 317.38000
• 闪点: 187ºC
• 精确质量: 317.16300
• PSA: 86.28000
• LogP: 4.04060
• InChIKey: OMZSNIQSXZEIKB-ZHIYBZGJSA-N
• SMILES: CC12CCC3c4ccc(O)c([N+](=O)[O-])c4CCC3C1CCC2O
• 折射率: 1.621

靶点实验

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实验名称：Estrogen receptor (ER) binding affinity 来源：ChEMBL 靶标：Estrogen receptor beta External Id：CHEMBL679678

实验名称：Anticancer against human ER-positive MCF7L cells assessed as cell viability after 48 ... 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL3296818

实验名称：Anticancer against human ER-positive MDA-MB-231 cells assessed as cell viability afte... 来源：ChEMBL 靶标：MDA-MB-231 External Id：CHEMBL3296817

实验名称：Anticancer against human ER-negative AU565 cells assessed as cell viability after 48 ... 来源：ChEMBL 靶标：AU565 External Id：CHEMBL3296820

实验名称：Anticancer against human ER-positive MCF7 cells assessed as cell viability after 48 h... 来源：ChEMBL 靶标：MCF7 External Id：CHEMBL3296819

实验名称：Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate af... 来源：ChEMBL 靶标：Steryl-sulfatase External Id：CHEMBL1839049

实验名称：NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L... 来源：DTP/NCI 靶标：N/A External Id：MCF7_OneDose

实验名称：Anticancer against human HepG2 cells assessed as cell viability after 48 hrs by SRB a... 来源：ChEMBL 靶标：HepG2 External Id：CHEMBL3296826

实验名称：NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell... 来源：DTP/NCI 靶标：N/A External Id：IGROV1_OneDose

实验名称：Anticancer against human Hep3B cells assessed as cell viability after 48 hrs by SRB a... 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL3296828

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英文别名

• 4-nitroestradiol
• 4-Nitroestratriene-3,17beta-diol
• 4'-nitro-10-phenylphenothiazine