suberic acid methylphthalimidomonoester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: suberic acid methylphthalimidomonoester
• 英文别名: 8-[(1,3-Dioxoisoindol-2-yl)methoxy]-8-oxooctanoic acid；8-[(1,3-dioxoisoindol-2-yl)methoxy]-8-oxooctanoic acid
• 化学式: C₁₇H₁₉NO₆
• 分子量: 333.341
• InChiKey: DQVQIRQKISUUJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  辛二酸 、 N-氯甲基邻苯二甲酰亚胺 在 二环己胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以35%的产率得到suberic acid methylphthalimidomonoester
  参考文献：
  名称：

  Synthesis of 7200 Small Molecules Based on a Substructural Analysis of the Histone Deacetylase Inhibitors Trichostatin and Trapoxin

  摘要：

  [GRAPHICS]Seventy-two hundred potential inhibitors of the histone deacetylase (HDAC) enzyme family, based on a 1,3-dioxane diversity structure, were synthesized on polystyrene macrobeads. The compounds were arrayed for biological assays in a "one bead-one stock solution" format. Metal-chelating functional groups were used to direct the 1,3-dioxanes to HDAC enzymes, which are zinc hydrolases. Representative structures from this library were tested for inhibitory activity and the 1,3-dioxane structure was shown to be compatible with HDAC inhibition.

  DOI：

  10.1021/ol016915f

文献信息

• Synthesis of 7200 Small Molecules Based on a Substructural Analysis of the Histone Deacetylase Inhibitors Trichostatin and Trapoxin
  作者：Scott M. Sternson、Jason C. Wong、Christina M. Grozinger、Stuart L. Schreiber

  DOI：10.1021/ol016915f

  日期：2001.12.1

  [GRAPHICS]Seventy-two hundred potential inhibitors of the histone deacetylase (HDAC) enzyme family, based on a 1,3-dioxane diversity structure, were synthesized on polystyrene macrobeads. The compounds were arrayed for biological assays in a "one bead-one stock solution" format. Metal-chelating functional groups were used to direct the 1,3-dioxanes to HDAC enzymes, which are zinc hydrolases. Representative structures from this library were tested for inhibitory activity and the 1,3-dioxane structure was shown to be compatible with HDAC inhibition.