Scutebata B

• 常用名: Scutebata B
• 英文名: Scutebata B
• CAS号: 1207181-58-5
• 分子量: 633.68
• 密度: 1.3±0.1 g/cm3
• 沸点: 797.3±60.0 °C at 760 mmHg
• 分子式: C₃₅H₃₉NO₁₀
• 熔点: N/A
• 闪点: 436.0±32.9 °C

Scutebata B用途

Scutebata B 是从半枝莲全草中分离出来的新氯丹二萜类化合物。Scutebata B 具有细胞毒活性,IC50 值为 10.27～28.48 μM。

Scutebata B名称

• 英文名: Scutebata B

Scutebata B生物活性

• 描述: Scutebata B 是从半枝莲全草中分离出来的新氯丹二萜类化合物。Scutebata B 具有细胞毒活性,IC50 值为 10.27～28.48 μM。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 靶点实验:

  IC50 10.73 μM (LoVo cell), 18.96 μM (SMMC-7721 cell), 10.27 μM (MCF-7 cell), 28.48 μM (HCT-116 cell)[1]

• 参考文献:

  [1]. Maolin Wang, et al. Neoclerodane diterpenoids from Scutellaria barbata with cytotoxic activities. Nat Prod Res. 2020, 34, 10.

Scutebata B物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 797.3±60.0 °C at 760 mmHg
• 分子式: C₃₅H₃₉NO₁₀
• 分子量: 633.68
• 闪点: 436.0±32.9 °C
• 精确质量: 633.257385
• PSA: 158.55000
• LogP: 5.04
• InChIKey: PMRCLNAMSQXGTL-FJYLMWHZSA-N
• SMILES: CC(=O)OC(CC1=C(O)C(=O)OC1)C1(C)C2CCC=C(C)C2(C)C(OC(=O)c2cccnc2)C(OC(=O)c2ccccc2)C1(C)O
• 外观性状: 粉末
• 蒸汽压: 0.0±2.9 mmHg at 25°C
• 折射率: 1.612
• 储存条件: 2-8℃，干燥，密闭

Scutebata B安全信息

• 危害码 (欧洲): Xi

Scutebata 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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Scutebata B英文别名

• (1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-Acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydro-3-furanyl)ethyl]-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl nicotinate
• 3-Pyridinecarboxylic acid, (1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(2,5-dihydro-4-hydroxy-5-oxo-3-furanyl)ethyl]-2-(benzoyloxy)-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1-naphthalenyl ester