2-{1-[2-(3-Methylbut-2-enyloxy)phenyl]ethyliden}malononitril | 929606-04-2

• 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-{1-[2-(3-Methylbut-2-enyloxy)phenyl]ethyliden}malononitril
• 英文别名: 2-[1-[2-(3-Methylbut-2-enoxy)phenyl]ethylidene]propanedinitrile
• CAS: 929606-04-2
• 化学式: C₁₆H₁₆N₂O
• 分子量: 252.316
• InChiKey: JEYCLFOAUFSHSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-{1-[2-(3-Methylbut-2-enyloxy)phenyl]ethyliden}malononitril 、 碘甲烷 在 二硫化碳 作用下， 以80 %的产率得到2-[2-(3-metylbut-2-enyloxy)-phenyl]-4,4-bis-metylsulphanyl-buta-1,3-dien-1,1-dicarbonitrile
  参考文献：
  名称：

  PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF

  摘要：

  The present invention reports the obtaining of carbonyl compounds and derivatives, through syntheses with high yield and purity, providing anti-humoral active principles with selective antiproliferative properties and anti-metastatic activity. The present invention refers to the development of new polyfunctional push-pull butadienes and their O and C-prenylated, benzoylated and iodide derivatives, with high electronic conjugation in the lateral chain. These compounds exhibit high anti-tumor selectivity, causing cell death by apoptosis, also show anti-metastatic and non-mutagenic properties in the experimental studies performed.

  公开号：

  US20230130823A1
• 作为产物：
  描述：

  2-(3-methylbut-2-enyloxy)acetophenone 、 丙二腈 生成 2-{1-[2-(3-Methylbut-2-enyloxy)phenyl]ethyliden}malononitril
  参考文献：
  名称：

  Substituierte Acetophenonderivate

  摘要：

  该发明涉及替代的乙酰苯酚衍生物，具有抗增殖、自由基清除、抗菌、抗微生物和/或免疫刺激或免疫调节特性，包含这些特性的药物，以及其制备方法。

  公开号：

  EP1764363A3

文献信息

• Substituierte Acetophenonderivate
  申请人：Riemser Arzneimittel AG

  公开号：EP1764363A3

  公开（公告）日：2007-05-16

  Die Erfindung bezieht sich auf substituierte Acetophenonderivate die antiproliferative, radikalfangende, antiseptische, antimikrobielle und/oder immunstimmulierende bzw. immunmodulierende Eigenschaften aufweisen, Arzneimittel die diese enthalten, sowie auf ein Verfahren zu deren Herstellung.

  该发明涉及替代的乙酰苯酚衍生物，具有抗增殖、自由基清除、抗菌、抗微生物和/或免疫刺激或免疫调节特性，包含这些特性的药物，以及其制备方法。
• [EN] PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF<br/>[FR] PROCÉDÉ D'OBTENTION DE COMPOSITIONS PHARMACEUTIQUES ANTITUMORALES AU MOYEN DE BUTADIÈNES PUSH-PULL, COMPOSÉS ET LEURS UTILISATIONS<br/>[PT] PROCESSO PARA OBTENÇÃO DE COMPOSIÇÕES FARMACÊUTICAS ANTITUMORAIS ATRAVÉS DE BUTADIENOS PUSH-PULL, COMPOSTOS E SEUS USOS
  申请人：ANHANGUERA EDUCACIONAL PARTICIPACOES S/A

  公开号：WO2021077194A1

  公开（公告）日：2021-04-29

  A presente invenção relata a obtenção de compostos carbonílicos e derivados, através de sínteses com alto rendimento e pureza, proporcionando princípios ativos antitumorais com propriedades antiproliferativas seletivas e atividade antimetastática. A presente invenção refere-se ao desenvolvimento de novos butadienos push-pull polifuncionais e seus derivados O e C-prenilados, benzoilados e iodados, com alta conjugação eletrônica na cadeia lateral. Estes compostos exibem alta seletividade antitumoral, provocando a morte celular por apoptose, mostram também propriedades antimetastáticas e não mutagênicas nos estudos experimentais realizados.
• PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF
  申请人：ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A

  公开号：US20230130823A1

  公开（公告）日：2023-04-27

  The present invention reports the obtaining of carbonyl compounds and derivatives, through syntheses with high yield and purity, providing anti-humoral active principles with selective antiproliferative properties and anti-metastatic activity. The present invention refers to the development of new polyfunctional push-pull butadienes and their O and C-prenylated, benzoylated and iodide derivatives, with high electronic conjugation in the lateral chain. These compounds exhibit high anti-tumor selectivity, causing cell death by apoptosis, also show anti-metastatic and non-mutagenic properties in the experimental studies performed.