2-Methyl-1-[2,4,6-trihydroxy-3-(2-methylbutanoyl)phenyl]butan-1-one | 139409-36-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Methyl-1-[2,4,6-trihydroxy-3-(2-methylbutanoyl)phenyl]butan-1-one
• CAS: 139409-36-2
• 化学式: C₁₆H₂₂O₅
• 分子量: 294.348
• InChiKey: IXTMIKZHYSOBLN-UHFFFAOYSA-N

物化性质

• 沸点：
  429.5±45.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基丁酸 、 间苯三酚 在 三氟化硼乙醚 作用下， 反应 24.0h， 生成 2-甲基-1-(2,4,6-三羟基苯基)丁烷-1-酮 、 2-Methyl-1-[2,4,6-trihydroxy-3-(2-methylbutanoyl)phenyl]butan-1-one
  参考文献：
  名称：

  Analogs of natural phloroglucinols as antagonists against both thromboxane A2 and leukotriene D4

  摘要：

  Antagonists against both thromboxane A2 and leukotriene D4 were prepared from phloroglucinol. These compounds showed almost the same activity as the chinesins which were isolated from Hypericum chinense L. The correlation between the structures and activity was studied in the synthesized and naturally occurring phloroglucinol derivatives.

  DOI：

  10.1021/jm00085a006

文献信息

• 2,4-Diacetylphloroglucinol (DAPG) derivatives rapidly eradicate methicillin-resistant staphylococcus aureus without resistance development by disrupting membrane
  作者：Yifan Zhong、Xiaoli He、Wenlan Tao、Jizhou Feng、Ruixue Zhang、Hongzhi Gong、Ziyi Tang、Chao Huang、Yun He

  DOI：10.1016/j.ejmech.2023.115823

  日期：2023.12

  Methicillin-resistant Staphylococcus aureus (MRSA) causes severe public health challenges throughout the world, and the multi-drug resistance (MDR) of MRSA to antibiotics necessitates the development of more effective antibiotics. Natural 2,4-diacetylphloroglucinol (DAPG), produced by Pseudomonas, displays moderate inhibitory activity against MRSA. A series of DAPG derivatives was synthesized and evaluated

  耐甲氧西林金黄色葡萄球菌（MRSA）给全世界带来了严峻的公共卫生挑战，而MRSA对抗生素的多重耐药性（MDR）使得开发更有效的抗生素成为必要。天然 2,4-二乙酰基间苯三酚 (DAPG) 由假单胞菌产生，对 MRSA 显示出中等的抑制活性。合成了一系列 DAPG 衍生物并对其抗菌活性进行了评估，其中一些表现出优异的活性（MRSA MIC = 0.5–2 μg/mL）。在这些衍生物中，7g表现出很强的抗菌活性，两个月内未出现耐药性。机理研究表明7g通过靶向细菌细胞膜发挥其活性。此外，7g与苯唑西林在体外和体内均表现出显着的协同抗菌作用，并具有根除MRSA生物膜的趋势。7g是治疗 MRSA 的一种有前景的先导药物。