2-(2-(2-(2-(4-nitrophenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-(2-(2-(4-nitrophenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
• 英文别名: 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• 化学式: C₂₁H₂₇NO₉S
• 分子量: 469.513
• InChiKey: PBZPEXXIMBOMJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  32
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(2-(2-(2-(4-nitrophenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate 在 sodium azide 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以47%的产率得到1-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)-4-nitrobenzene
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of Proteolysis Targeting Chimeras (PROTACs) for the Dual Degradation of IGF-1R and Src

  摘要：

  开发了一个专注于降解与各种癌症相关的IGF-1R和Src蛋白的PROTAC文库。通过将不同的抑制剂战斗单元和E3连接酶（CRBN）招募-泼美度胺与不同的连接剂相结合，合成了具有IGF-1R和Src降解潜力的PROTAC。设计的PROTACs 12a-b在各种细胞实验中以低微摩尔效力（1-5μM）抑制了MCF7和A549癌细胞的增殖和迁移。

  DOI：

  10.3390/molecules25081948
• 作为产物：
  描述：

  对硝基苯酚 、 四乙二醇二对甲苯磺酸酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以76%的产率得到2-(2-(2-(2-(4-nitrophenoxy)ethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of Proteolysis Targeting Chimeras (PROTACs) for the Dual Degradation of IGF-1R and Src

  摘要：

  开发了一个专注于降解与各种癌症相关的IGF-1R和Src蛋白的PROTAC文库。通过将不同的抑制剂战斗单元和E3连接酶（CRBN）招募-泼美度胺与不同的连接剂相结合，合成了具有IGF-1R和Src降解潜力的PROTAC。设计的PROTACs 12a-b在各种细胞实验中以低微摩尔效力（1-5μM）抑制了MCF7和A549癌细胞的增殖和迁移。

  DOI：

  10.3390/molecules25081948

文献信息

• [EN] RAF-DEGRADING CONJUGATE COMPOUNDS<br/>[FR] COMPOSÉS CONJUGUÉS DE DÉGRADATION DE RAF
  申请人：QUARTZ THERAPEUTICS INC

  公开号：WO2018200981A1

  公开（公告）日：2018-11-01

  The present disclosure provides, inter alia, RAF-Degrading Conjugate Compounds that are useful in the treatment of cancer and other RAF related diseases. Also provided are, pharmaceutical compositions, methods of treatment, and kits comprising a RAF- Degrading Conjugate Compound.

  本公开提供了用于治疗癌症和其他与RAF相关疾病的RAF降解共轭化合物。还提供了药物组合物、治疗方法和包含RAF降解共轭化合物的试剂盒。
• Podand ionophores capable of forming cation-binding cavities through intramolecular interactions between the terminal groups
  作者：Kyu-Sung Jeong、Young Lag Cho、Seung Yup Pyun

  DOI：10.1016/0040-4039(95)00408-5

  日期：1995.4

  A series of podand hosts having suitable cavities for metal cations in virtue of intramolecular interactions between the terminal groups were designed and synthesized. The conformational informations of hosts were obtained by NMR studies including homonuclear NOE difference experiments. Intramolecular interactions between the terminal groups of podand hosts markedly increase binding affinities and

  根据末端基团之间的分子内相互作用，设计并合成了一系列具有适合金属阳离子空腔的豆荚宿主。宿主的构象信息是通过NMR研究（包括同核NOE差异实验）获得的。荚果宿主的末端基团之间的分子内相互作用显着增加了对金属阳离子的结合亲和力和选择性。
• IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas, Inc.

  公开号：US20150291562A1

  公开（公告）日：2015-10-15

  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.

  该描述涉及基于亚醰基的化合物，包括包含它们的双官能团化合物，这些化合物在靶向泛素化调节中发挥作用，特别是根据本发明的双官能团化合物抑制各种多肽和其他蛋白质的降解和/或抑制。具体来说，该描述提供了一种化合物，其中一端含有与小脑素E3泛素连接酶结合的配体，另一端含有结合目标蛋白的基团，使目标蛋白靠近泛素连接酶，以实现该蛋白的降解（和抑制）。可以合成表现出与几乎任何类型的靶向多肽的降解/抑制一致的广泛药理活性的化合物。
• RAF-degrading conjugate compounds
  申请人：ZAMBONI CHEM SOLUTIONS INC.

  公开号：US10787443B2

  公开（公告）日：2020-09-29

  The present disclosure provides, inter alia, RAF-Degrading Conjugate Compounds that are useful in the treatment of cancer and other RAF related diseases. Also provided are, pharmaceutical compositions, methods of treatment, and kits comprising a RAF-Degrading Conjugate Compound.

  本公开特别提供了可用于治疗癌症和其他 RAF 相关疾病的 RAF 降解共轭化合物。还提供了包含 RAF 降解共轭化合物的药物组合物、治疗方法和试剂盒。
• 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。