3-Methyl-2-butenoic acid [8-hydroxymethyl-1,5-dimethyl-5-(4-methyl-3-pentenyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] ester

• 常用名: 3-Methyl-2-butenoic acid [8-hydroxymethyl-1,5-dimethyl-5-(4-methyl-3-pentenyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] ester
• 英文名: 3-Methyl-2-butenoic acid [8-hydroxymethyl-1,5-dimethyl-5-(4-methyl-3-pentenyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] ester
• CAS号: 72506-14-0
• 分子量: 402.57
• 密度: 1.1±0.1 g/cm3
• 沸点: 501.0±50.0 °C at 760 mmHg
• 分子式: C₂₅H₃₈O₄
• 熔点: N/A
• 闪点: 158.5±23.6 °C

用途

Vibsanin A是一种蛋白激酶C(PKC)激活剂,对人类癌细胞系具有抗增殖活性。Vibsanin A也是一种HSP90抑制剂[1]。

名称

• 英文名: (1R,2R,5S,7E,11R)-8-(Hydroxymethyl)-1,5-dimethyl-5-(4-methyl-3-penten-1-yl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methyl-2-butenoate

生物活性

• 描述: Vibsanin A是一种蛋白激酶C(PKC)激活剂,对人类癌细胞系具有抗增殖活性。Vibsanin A也是一种HSP90抑制剂[1]。
• 相关类别:
  信号通路 >> 表观遗传学 >> PKC
  研究领域 >> 癌症
  信号通路 >> 代谢酶/蛋白酶 >> HSP
  信号通路 >> 细胞周期/DNA损伤 >> HSP
  信号通路 >> TGF-beta/Smad 信号通路 >> PKC
• 参考文献:

  [1]. Miura K, et, al. Identification of vibsanin A analog as a novel HSP90 inhibitor. Bioorg Med Chem. 2020 Jan 15;28(2):115253.

  [2]. Shen X, et, al. Vibsanin A sensitizes human acute myeloid leukemia cells to tyrosine kinase inhibitor-induced myeloid differentiation via activation of PKC and upregulation of Lyn. Biochem Biophys Res Commun. 2018 Jul 7;502(1):110-115.

物理化学性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 501.0±50.0 °C at 760 mmHg
• 分子式: C₂₅H₃₈O₄
• 分子量: 402.57
• 闪点: 158.5±23.6 °C
• 精确质量: 402.277008
• LogP: 7.24
• InChIKey: FUGMARDYCOVINL-UHHANTDWSA-N
• SMILES: CC(C)=CCCC1(C)C=CC(OC(=O)C=C(C)C)C2(C)OC2CCC(CO)=CC1
• 蒸汽压: 0.0±2.9 mmHg at 25°C
• 折射率: 1.528

靶点实验

查看更多实验

实验名称：Induction of vacuole formation in human HT1080 cells at 10 uM incubated for 24 hrs 来源：ChEMBL 靶标：HT-1080 External Id：CHEMBL4610847

实验名称：Inhibition of Akt signaling pathway in human HT1080 cells assessed as fold change in ... 来源：ChEMBL 靶标：RAC-alpha serine/threonine-protein kinase External Id：CHEMBL4610849

实验名称：Induction of monocytic differentiation in human THP-1 cells assessed as decrease in n... 来源：ChEMBL 靶标：THP-1 External Id：CHEMBL5254142

实验名称：Effect on Akt level in human HT1080 cells assessed as Akt level at 10 uM incubated fo... 来源：ChEMBL 靶标：HT-1080 External Id：CHEMBL4610848

实验名称：Induction of monocytic differentiation in human THP-1 cells assessed as increase in c... 来源：ChEMBL 靶标：THP-1 External Id：CHEMBL5254141

实验名称：Inhibition of Akt signaling pathway in human HT1080 cells assessed as fold change in ... 来源：ChEMBL 靶标：RAC-alpha serine/threonine-protein kinase External Id：CHEMBL4610850

实验名称：Activation of PKC in human THP-1 cells assessed as increase in ERK phosphorylation in... 来源：ChEMBL 靶标：Protein kinase C alpha type External Id：CHEMBL5254137

实验名称：Activation of ERK in human HL-60 cells assessed as increase in cell differentiation 来源：ChEMBL 靶标：N/A External Id：CHEMBL5254144

实验名称：Induction of monocytic differentiation in human THP-1 cells assessed as high vacuolat... 来源：ChEMBL 靶标：THP-1 External Id：CHEMBL5254143

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英文别名

• 2-Butenoic acid, 3-methyl-, (1R,2R,5S,7E,11R)-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methyl-3-penten-1-yl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl ester
• 2-Butenoic acid, 3-methyl-, (1R,2R,3E,5S,7E,11R)-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methyl-3-penten-1-yl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl ester
• (1R,2R,5S,7E,11R)-8-(Hydroxymethyl)-1,5-dimethyl-5-(4-methyl-3-penten-1-yl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methyl-2-butenoate