(5S)-5-ethyl-5-hydroxy-14-(pyridin-1-ium-1-ylmethyl)-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione

• 常用名: (5S)-5-ethyl-5-hydroxy-14-(pyridin-1-ium-1-ylmethyl)-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
• 英文名: (5S)-5-ethyl-5-hydroxy-14-(pyridin-1-ium-1-ylmethyl)-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
• CAS号: 682327-04-4
• 分子量: 484.5
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₇H₂₂N₃O₆+
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (5S)-5-ethyl-5-hydroxy-14-(pyridin-1-ium-1-ylmethyl)-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione

物理化学性质

• 分子式: C₂₇H₂₂N₃O₆+
• 分子量: 484.5
• InChIKey: ITDYGAOQYQOVGV-MHZLTWQESA-N
• SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccc1)OCO3

靶点实验

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实验名称：MDR ratio is defined as the quotient of SKVLB IC50/SKOV3 IC50 来源：ChEMBL 靶标：N/A External Id：CHEMBL847741

实验名称：Maximally tolerated dose that caused <=30% body weight loss in mice 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL723206

实验名称：Delay in tumor growth in drug treated animals compared to controls at a dose of 100(m... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL724878

实验名称：Solubility was measured in D2O using 1H NMR integration of the C-20 ethyl group again... 来源：ChEMBL 靶标：N/A External Id：CHEMBL635059

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