2-(1-氧代-1,3-二氢-异吲哚-2-基)-戊二酸酐 | 26581-82-8

• 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
• 中文名称: 2-(1-氧代-1,3-二氢-异吲哚-2-基)-戊二酸酐
• 英文名称: 2-(1-Oxoisoindolin-2-yl)-glutarsaeureanhydrid
• 英文别名: 2-(1-oxo-1,3-dihydro-isoindol-2-yl)-pentanedioic acid anhydride；3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione
• CAS: 26581-82-8
• 化学式: C₁₃H₁₁NO₄
• 分子量: 245.235
• InChiKey: BGCUNQYSYKNKNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1-氧代-1,3-二氢-异吲哚-2-基)-戊二酸酐 在 尿素 作用下， 以80%的产率得到2-(2,6-二氧代哌啶烯-3-基)-苄甲内酰胺
  参考文献：
  名称：

  Helm; Frankus; Friderichs, Arzneimittel-Forschung/Drug Research, 1981, vol. 31, # 6, p. 941 - 949

  摘要：

  DOI：

文献信息

• Imide-based modulators of proteolysis and associated methods of use
  申请人：YALE UNIVERSITY

  公开号：US11220515B2

  公开（公告）日：2022-01-11

  The description relates to imide-based compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

  本说明涉及亚胺基化合物，包括包含亚胺基化合物的双官能化合物，这些化合物可用作靶向泛素化的调节剂，特别是各种多肽和其他蛋白质的抑制剂，根据本发明的双官能化合物可降解和/或以其他方式抑制这些多肽和蛋白质。具体而言，本发明提供的化合物一端含有与脑龙 E3 泛素连接酶结合的配体，另一端含有与靶蛋白结合的分子，从而使靶蛋白靠近泛素连接酶，以实现对该蛋白的降解（和抑制）。可以合成出具有广泛药理活性的化合物，这些化合物几乎可以降解/抑制任何类型的目标多肽。
• IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE
  申请人：YALE UNIVERSITY

  公开号：US20190233433A1

  公开（公告）日：2019-08-01

  The description relates to imide-based compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.
• Helm; Frankus; Friderichs, Arzneimittel-Forschung/Drug Research, 1981, vol. 31, # 6, p. 941 - 949
  作者：Helm、Frankus、Friderichs、Graudums、Flohe

  DOI：——

  日期：——