(4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone

• 常用名: (4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
• 英文名: ML211
• CAS号: 2205032-89-7
• 分子量: 418.531
• 密度: 1.2±0.1 g/cm3
• 沸点: 583.9±42.0 °C at 760 mmHg
• 分子式: C₂₅H₃₀N₄O₂
• 熔点: N/A
• 闪点: 306.9±27.9 °C

用途

ML-211是一种基于氨基甲酸酯的酰基蛋白硫酯酶1(APT1)/溶血磷脂酶1(LYPLA1)(IC50=17nm)和LYPLA2(IC50=30nm)双重抑制剂。ML-211还以10 nM的IC50值抑制了海洋水解酶ABHD11,但≥ 在另外20种丝氨酸水解酶中,LYPLA的选择性为50倍[1]。

名称

• 中文名: (4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
• 英文名: ML-211

生物活性

• 描述: ML-211是一种基于氨基甲酸酯的酰基蛋白硫酯酶1(APT1)/溶血磷脂酶1(LYPLA1)(IC50=17nm)和LYPLA2(IC50=30nm)双重抑制剂。ML-211还以10 nM的IC50值抑制了海洋水解酶ABHD11,但≥ 在另外20种丝氨酸水解酶中,LYPLA的选择性为50倍[1]。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 磷脂
  信号通路 >> 代谢酶/蛋白酶 >> MAGL
• 参考文献:

  [1]. Adibekian, A., Martin, B.R., Speers, A.E., et al. Optimization and characterization of a triazole urea dual inhibitor for lysophospholipase 1 (LYPLA1) and lysophospholipase 2 (LYPLA2). Probe Reports from the NIH Molecular Libraries Program 1 R01 CA132630, 1-42 (2013).

物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 583.9±42.0 °C at 760 mmHg
• 分子式: C₂₅H₃₀N₄O₂
• 分子量: 418.531
• 闪点: 306.9±27.9 °C
• 精确质量: 418.236877
• LogP: 3.87
• 蒸汽压: 0.0±1.7 mmHg at 25°C
• 折射率: 1.616
• 储存条件: 2-8°C，密封，干燥

靶点实验

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英文别名

• {4-[Hydroxy(diphenyl)methyl]-2H-1,2,3-triazol-2-yl}[4-(2-methyl-2-propanyl)-1-piperidinyl]methanone
• ML-211