3-acetyl-6-ethyl-4-hydroxy-2-pyrone | 808132-39-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetyl-6-ethyl-4-hydroxy-2-pyrone
• 英文别名: 3-Acetyl-6-[5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one
• CAS: 808132-39-0
• 化学式: C₁₈H₃₀O₅Si
• 分子量: 354.519
• InChiKey: BJUZZXGTHXUGSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-acetyl-6-ethyl-4-hydroxy-2-pyrone 在 碳酸氢钠 、 戴斯-马丁氧化剂 、 溶剂黄146 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 14.0h， 生成 4-(5-Acetyl-4-hydroxy-6-oxopyran-2-yl)pentanal
  参考文献：
  名称：

  Myxopyronin B analogs as inhibitors of RNA polymerase, synthesis and biological evaluation

  摘要：

  A series of myxopyronin B analogs has been prepared via a convergent synthetic route and were tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against E. coli and S. aureus. The parent lead compound proved to be very sensitive to even small changes. Only the achiral desmethyl myxopyronin B (1a) provided enhanced potency. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.045
• 作为产物：
  描述：

  1-碘-3-[(叔-丁基二甲基硅烷基)氧基]丙烷 、 3-acetyl-6-ethyl-4-hydroxy-2-pyrone 在 六甲基磷酰三胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 3-acetyl-6-ethyl-4-hydroxy-2-pyrone
  参考文献：
  名称：

  Myxopyronin B analogs as inhibitors of RNA polymerase, synthesis and biological evaluation

  摘要：

  A series of myxopyronin B analogs has been prepared via a convergent synthetic route and were tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against E. coli and S. aureus. The parent lead compound proved to be very sensitive to even small changes. Only the achiral desmethyl myxopyronin B (1a) provided enhanced potency. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.045

文献信息

• [EN] ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES<br/>[FR] AGENTS ANTIBACTÉRIENS : DÉRIVÉS ARYL MYXOPYRONINES
  申请人：UNIV RUTGERS

  公开号：WO2013192352A1

  公开（公告）日：2013-12-27

  The invention provides compounds of formula la, lb and Ic: [Formula Ia, Ib, and Ic] and salts thereof, wherein variables are as described in the specification, as well as compositions comprising a compound of formula Ia-Ic, methods of making such compounds, and methods of using such compounds, e.g., as inhibitors of bacterial RNA polymerase and as antibacterial agents.

  该发明提供了以下公式的化合物：[公式 Ia、Ib 和 Ic] 及其盐，其中变量如规范中所述，以及包含公式 Ia-Ic 化合物的组合物、制备这种化合物的方法以及使用这种化合物的方法，例如作为细菌RNA聚合酶的抑制剂和抗菌剂。