4-(4-formyl-2-methoxyphenoxy)butanitrile | 928711-58-4

• 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: 4-(4-formyl-2-methoxyphenoxy)butanitrile
• 英文别名: 4-(4-Formyl-2-methoxyphenoxy)butanenitrile
• CAS: 928711-58-4
• 化学式: C₁₂H₁₃NO₃
• mdl: MFCD09673277
• 分子量: 219.24
• InChiKey: XARODYKYONTRLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-氯氧化吲哚 、 4-(4-formyl-2-methoxyphenoxy)butanitrile 在 哌啶 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以67%的产率得到4-(4-((5-chloro-2-oxoindolin-3-yliden)methyl)-2-methoxyphenoxy)butanitrile
  参考文献：
  名称：

  Modification of a promiscuous inhibitor shifts the inhibition from γ-secretase to FLT-3

  摘要：

  The inhibition of FLT-3 activity is an interesting target for the treatment of acute myeloid leukemia (AML). The serendipitous identification of FLT-3 inhibitors from a CK1/gamma-secretase programme provided compounds with dual inhibitory activity. We analyzed the structure-activity relationship of these inhibitors and derivatized them to arrive at compounds with reduced impact on gamma-secretase activity and enhanced FLT-3 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.016
• 作为产物：
  描述：

  香草醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以69%的产率得到4-(4-formyl-2-methoxyphenoxy)butanitrile
  参考文献：
  名称：

  Modification of a promiscuous inhibitor shifts the inhibition from γ-secretase to FLT-3

  摘要：

  The inhibition of FLT-3 activity is an interesting target for the treatment of acute myeloid leukemia (AML). The serendipitous identification of FLT-3 inhibitors from a CK1/gamma-secretase programme provided compounds with dual inhibitory activity. We analyzed the structure-activity relationship of these inhibitors and derivatized them to arrive at compounds with reduced impact on gamma-secretase activity and enhanced FLT-3 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.016

文献信息

• Development of Receptor for Advanced Glycation End Products (RAGE) ligands through target directed dynamic combinatorial chemistry: a novel class of possible antagonists
  作者：Anca‐Elena Dascalu、Christophe Furman、Isabelle Landrieu、François‐Xavier Cantrelle、Justine Mortelecque、Gaëlle Grolaux、Philippe Gillery、Frédéric Tessier、Emmanuelle Lipka、Muriel Billamboz、Eric Boulanger、Alina Ghinet

  DOI：10.1002/chem.202303255

  日期：2024.4.5

  Tackling the Receptor for Advanced Glycation End Products (RAGE) inhibition via Dynamic Combinatorial Chemistry (DCC). Leveraging protein recognition, in the presence of a continually self-correcting, evolving dynamic library, we were able to find novel ligands for RAGE. Our biological tests confirmed their superior affinities, as well as potential as antagonists, a fresh perspective for inhibiting

  通过动态组合化学 (DCC) 解决高级糖基化终产物 (RAGE) 受体抑制问题。利用蛋白质识别，在不断自我修正、不断进化的动态库的存在下，我们能够找到 RAGE 的新型配体。我们的生物测试证实了它们卓越的亲和力以及作为拮抗剂的潜力，为抑制这种多方面的炎症相关受体提供了新的视角。