半枝莲碱B

• 常用名: 半枝莲碱B
• 英文名: Scutebarbatine B
• CAS号: 905929-95-5
• 分子量: 557.63
• 密度: 1.3±0.1 g/cm3
• 沸点: 726.8±60.0 °C at 760 mmHg
• 分子式: C₃₃H₃₅NO₇
• 熔点: N/A
• 闪点: 393.4±32.9 °C

半枝莲碱B用途

灯盏花素B对三种人类癌细胞系,即HONE-1鼻咽癌、KB口腔表皮样癌和HT29结直肠癌细胞显示出显著的细胞毒活性,IC50值在3.5-8.1 mM[1]<

半枝莲碱B名称

• 中文名: 半枝莲碱 B
• 英文名: Scutebarbatine B

半枝莲碱B生物活性

• 描述: 灯盏花素B对三种人类癌细胞系,即HONE-1鼻咽癌、KB口腔表皮样癌和HT29结直肠癌细胞显示出显著的细胞毒活性,IC50值在3.5-8.1 mM[1]<
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Dai SJ, Tao JY, Liu K, Jiang YT, Shen L. neo-Clerodane diterpenoids from Scutellaria barbata with cytotoxic activities. Phytochemistry. 2006;67(13):1326-1330.

半枝莲碱B物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 726.8±60.0 °C at 760 mmHg
• 分子式: C₃₃H₃₅NO₇
• 分子量: 557.63
• 闪点: 393.4±32.9 °C
• 精确质量: 557.241333
• PSA: 112.02000
• LogP: 5.32
• InChIKey: QSKVSBUCFQUTSW-IWSWVWQKSA-N
• SMILES: CC1=CCCC2C1(C)C(OC(=O)c1cccnc1)C(OC(=O)c1ccccc1)C(C)(O)C2(C)C=CC1=CC(=O)OC1
• 外观性状: 粉末
• 蒸汽压: 0.0±2.5 mmHg at 25°C
• 折射率: 1.618
• 储存条件: 2-8℃，干燥，密闭

半枝莲碱B安全信息

• 危害码 (欧洲): Xi

半枝莲碱B靶点实验

查看更多实验

实验名称：Inhibition of P-gp in human MCF7/ADR cells assessed as potentiation of adriamycin-ind... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3857837

实验名称：Cytotoxicity against human MCF7 cells assessed as inhibition of cell survival rate at... 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL3857836

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半枝莲碱B英文别名

• (1R,2S,3R,4R,4aS,8aR)-2-(Benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl nicotinate
• (1R,2S,3R,4R,4aS,8aR)-2-(Benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate
• 3-Pyridinecarboxylic acid, (1R,2S,3R,4S,4aS,8aR)-2-(benzoyloxy)-4-[(E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1-naphthalenyl ester
• 3-Pyridinecarboxylic acid, (1R,2S,3R,4R,4aS,8aR)-2-(benzoyloxy)-4-[(E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1-naphthalenyl ester
• (1R,2S,3R,4S,4aS,8aR)-2-(Benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl nicotinate