2,4-(diacetyl)-6-(dodecanyl)-1,3,5-trihydroxybenzene | 1092783-57-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4-(diacetyl)-6-(dodecanyl)-1,3,5-trihydroxybenzene
• 英文别名: 1-(3-Acetyl-5-dodecyl-2,4,6-trihydroxy-phenyl)-ethanone；1-(3-acetyl-5-dodecyl-2,4,6-trihydroxyphenyl)ethanone
• CAS: 1092783-57-7
• 化学式: C₂₂H₃₄O₅
• 分子量: 378.509
• InChiKey: KFTALYXDAWXLJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  27
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 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：

  乙酸酐 、 2-dodecanyl-1,3,5-trihydroxybenzene 在 三氟化硼乙醚 作用下， 生成 2,4-(diacetyl)-6-(dodecanyl)-1,3,5-trihydroxybenzene
  参考文献：
  名称：

  Simplified YM-26734 inhibitors of secreted phospholipase A2 group IIA

  摘要：

  Simplified analogs of YM-26734, a known inhibitor of secreted phospholipase A(2) (sPLA(2)) group IIA, were synthesized and found to also display potent inhibition at low nanomolar concentrations. Analogs were based on the didodecanoylphloroglucinol portion of YM-26734 which contains the predicted active site calcium binding group. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.041

文献信息

• Simplified YM-26734 inhibitors of secreted phospholipase A2 group IIA
  作者：Rob C. Oslund、Nathan Cermak、Christophe L.M.J. Verlinde、Michael H. Gelb

  DOI：10.1016/j.bmcl.2008.09.041

  日期：2008.10

  Simplified analogs of YM-26734, a known inhibitor of secreted phospholipase A(2) (sPLA(2)) group IIA, were synthesized and found to also display potent inhibition at low nanomolar concentrations. Analogs were based on the didodecanoylphloroglucinol portion of YM-26734 which contains the predicted active site calcium binding group. (C) 2008 Elsevier Ltd. All rights reserved.