Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)

• 常用名: Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)
• 英文名: Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)
• CAS号: 76129-11-8
• 分子量: 387.49300
• 密度: 1.23g/cm3
• 沸点: 631.2ºC at 760 mmHg
• 分子式: C₂₁H₂₅NO₄S
• 熔点: N/A
• 闪点: 335.5ºC

名称

• 英文名: Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (S)

物理化学性质

• 密度: 1.23g/cm3
• 沸点: 631.2ºC at 760 mmHg
• 分子式: C₂₁H₂₅NO₄S
• 分子量: 387.49300
• 闪点: 335.5ºC
• 精确质量: 387.15000
• PSA: 82.09000
• LogP: 4.05910
• InChIKey: RRCKMQLZGKWNPR-UHFFFAOYSA-N
• SMILES: CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21
• 折射率: 1.607

毒性和生态

靶点实验

查看更多实验

实验名称：Compound was tested for antitumor activity against lymphocytic leukemia P388 cells; N... 来源：ChEMBL 靶标：P388 External Id：CHEMBL758603

实验名称：In vitro cytotoxicity against L1210 (murine leukemia) cells. 来源：ChEMBL 靶标：L1210 External Id：CHEMBL704567

实验名称：MED(minimum effective dose) against P388 lymphocytic leukemia in mice; this dose prod... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL879111

实验名称：Antitumor activity against P388 lymphocytic leukemia in mice 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL713637

实验名称：Cytotoxicity against human HCT8 cells after 2 days 来源：ChEMBL 靶标：HCT-8 External Id：CHEMBL1252353

实验名称：Displacement [3H]colchicine from tubulin at 50 uM 来源：ChEMBL 靶标：N/A External Id：CHEMBL1252352

实验名称：Displacement [3H]colchicine from tubulin at 5 uM 来源：ChEMBL 靶标：N/A External Id：CHEMBL1252351

实验名称：Inhibition of tubulin assembly 来源：ChEMBL 靶标：N/A External Id：CHEMBL1252350

实验名称：Lethal dose after the intraperitoneal injection in a group of 10 mice 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL714743

实验名称：Partition coefficient (logP) 来源：ChEMBL 靶标：N/A External Id：CHEMBL634963

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英文别名

• (S)-1,2,3-Trimethoxy-7-methylamino-10-methylmercapto-6,7-dihydro-5H-benzo[a]heptalen-9-on
• (S)-1,2,3-trimethoxy-7-methylamino-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
• thiodemecolcine