3-(hydroxymethyl)-5-methoxy-1,2-dimethyl-1H-indole-4,7-dione

• 常用名: 3-(hydroxymethyl)-5-methoxy-1,2-dimethyl-1H-indole-4,7-dione
• 英文名: 3-(hydroxymethyl)-5-methoxy-1,2-dimethyl-1H-indole-4,7-dione
• CAS号: 161518-24-7
• 分子量: 235.23600
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₂H₁₃NO₄
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: 3-(hydroxymethyl)-5-methoxy-1,2-dimethylindole-4,7-dione

物理化学性质

• 分子式: C₁₂H₁₃NO₄
• 分子量: 235.23600
• 精确质量: 235.08400
• PSA: 68.53000
• LogP: 0.73510
• InChIKey: OGNGGVGRGMBLMA-UHFFFAOYSA-N
• SMILES: COC1=CC(=O)c2c(c(CO)c(C)n2C)C1=O

靶点实验

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实验名称：Inhibition of human IDO1 expressed in Escherichia coli using L-tryptophan as substrat... 来源：ChEMBL 靶标：Indoleamine 2,3-dioxygenase 1 External Id：CHEMBL5235145

实验名称：Cytotoxicity was measured on non-small cell lung cancer(NSCLC) in H596 cell lines. 来源：ChEMBL 靶标：NCI-H596 External Id：CHEMBL683157

实验名称：NQO1 inactivation assay 来源：ChEMBL 靶标：NAD(P)H dehydrogenase [quinone] 1 External Id：CHEMBL763146

实验名称：Metabolism by recombinant human NQO1, using an HPLC system designed to quantify both ... 来源：ChEMBL 靶标：NAD(P)H dehydrogenase [quinone] 1 External Id：CHEMBL763147

实验名称：Selectivity ratio against NSCLC H460 and NSCLC H596 was evaluated 来源：ChEMBL 靶标：N/A External Id：CHEMBL849004

实验名称：Cytotoxicity was measured on non-small cell lung cancer(NSCLC) in H460 cell lines. 来源：ChEMBL 靶标：NCI-H460 External Id：CHEMBL684522

实验名称：Activity at human recombinant NQO1 assessed as average rate of irreversible NADH oxid... 来源：ChEMBL 靶标：NAD(P)H dehydrogenase [quinone] 1 External Id：CHEMBL2390339

实验名称：Cytotoxic activity against non-small cell lung cancer cell line (NSCLC) H460 was dete... 来源：ChEMBL 靶标：NCI-H460 External Id：CHEMBL684521

实验名称：Activity at human recombinant NQO1 assessed as initial rate of cytochrome c reduction... 来源：ChEMBL 靶标：NAD(P)H dehydrogenase [quinone] 1 External Id：CHEMBL2390338

实验名称：Metabolism (NADH oxidation) by recombinant human NAD(P)H: quinone oxidoreductase (NQO... 来源：ChEMBL 靶标：Homo sapiens External Id：CHEMBL625465

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英文别名

• 3-(hydroxymethyl)-5-methoxy-1,2-dimethyl-1H-indole-4,7-dione
• 1,2-dimethyl-3-hydroxymethyl-5-methoxyindole-4,7-dione
• 1H-Indole-4,7-dione,3-(hydroxymethyl)-5-methoxy-1,2-dimethyl
• 5-methoxy-3-hydroxymethyl-1,2-dimethylindole-4,7-dione
• 3-hydroxymethyl-5-methoxy-1,2-dimethylindole-4,7-dione