(Z)-3-(5-fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl)propanenitrile | 1346513-16-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (Z)-3-(5-fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl)propanenitrile
• 英文别名: 3-[(3Z)-6-fluoro-2-methyl-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]propanenitrile
• CAS: 1346513-16-3
• 化学式: C₂₃H₂₂FN
• 分子量: 331.433
• InChiKey: UYMXXTSSNXITPN-XKZIYDEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (Z)-3-(5-fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl)propanenitrile 在 sodium azide 、 三乙胺盐酸盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 以57%的产率得到(Z)-5-(2-(5-fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl)ethyl)-1H-tetrazole
  参考文献：
  名称：

  [EN] METHODS AND COMPOSITIONS FOR TREATING CANCER
  [FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT DU CANCER

  摘要：

  本文提供的实施例涉及用于治疗癌症的方法和组合物。一些实施例涉及具有对视黄醇X受体-α（RXRa）活性的某些化合物。一些实施例包括设计或识别结合到人类RXRa蛋白的化合物，例如人类RXRa蛋白的配体结合结构域（LBD）。

  公开号：

  WO2015100267A1
• 作为产物：
  描述：

  6-氟-2-甲基-1-茚酮 在 硫酸 、 sodium methylate 、 溶剂黄146 、 异丙醇 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 9.41h， 生成 (Z)-3-(5-fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl)propanenitrile
  参考文献：
  名称：

  Synthesis and SAR study of modulators inhibiting tRXRα-dependent AKT activation

  摘要：

  RXR alpha represents an intriguing and unique target for pharmacologic interventions. We recently showed that Sulindac and a designed analog could bind to RXR alpha and modulate its biological activity, including inhibition of the interaction of an N-terminally truncated RXR alpha (tRXR alpha) with the p85 alpha regulatory subunit of phosphatidylinositol-3-OH kinase (PI3K). Here we report the synthesis, testing and SAR of a series of novel analogs of Sulindac as potential modulators for inhibiting tRXR alpha-dependent AKT activation. A new compound 30 was identified to have improved biological activity. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.012

文献信息

• METHODS AND COMPOSITIONS RELATED TO A RETINOID RECEPTOR-SELECTIVE PATHWAY
  申请人：Zhang Xiao-kun

  公开号：US20150266842A1

  公开（公告）日：2015-09-24

  Provided herein are methods and compositions related to a retinoid receptor-selective pathway. As described herein, this pathway can be targeted to manipulate a tumor microenvironment. For example, the methods and compositions described herein can be used to induce apoptosis in a cancer cell. Further, the compositions described herein, including Sulindac and analogs thereof, can be used to target this pathway for the treatment or prevention of cancer in human patients.

  本文提供了与视黄醛受体选择性通路相关的方法和组合物。如本文所述，该通路可以被定向用于操纵肿瘤微环境。例如，本文描述的方法和组合物可用于诱导癌细胞凋亡。此外，包括舒林达克及其类似物在内的本文描述的组合物可用于针对该通路治疗或预防人类患者的癌症。
• METHODS AND COMPOSITIONS FOR TREATING CANCER
  申请人：Su Ying

  公开号：US20160340324A1

  公开（公告）日：2016-11-24

  Embodiments provided herein relate to methods and compositions for treating cancer. Some embodiments relate to certain compounds having activity against retinoid X receptor-alpha (RXRα). Some embodiments included designing or identifying a compound that binds to human RXRa protein, such as the ligand binding domain (LBD) of human RXRa protein.
• METHODS AND COMPOSITIONS RELATED TO RETINOID RECEPTOR-SELECTIVE PATHWAY
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US20170313668A1

  公开（公告）日：2017-11-02

  Provided herein are methods and compositions related to a retinoid receptor-selective pathway. As described herein, this pathway can be targeted to manipulate a tumor microenviroment. For example, the methods and compositions described herein can be used to induce apoptosis in a cancer cell. Further, the compositions described herein, including Sulindac and analogs thereof, can be used to target this pathway for the treatment or prevention of cancer in human patients.
• US9611235B2
  申请人：——

  公开号：US9611235B2

  公开（公告）日：2017-04-04
• Synthesis and SAR study of modulators inhibiting tRXRα-dependent AKT activation
  作者：Zhi-Gang Wang、Liqun Chen、Jiebo Chen、Jian-Feng Zheng、Weiwei Gao、Zhiping Zeng、Hu Zhou、Xiao-kun Zhang、Pei-Qiang Huang、Ying Su

  DOI：10.1016/j.ejmech.2013.01.012

  日期：2013.4

  RXR alpha represents an intriguing and unique target for pharmacologic interventions. We recently showed that Sulindac and a designed analog could bind to RXR alpha and modulate its biological activity, including inhibition of the interaction of an N-terminally truncated RXR alpha (tRXR alpha) with the p85 alpha regulatory subunit of phosphatidylinositol-3-OH kinase (PI3K). Here we report the synthesis, testing and SAR of a series of novel analogs of Sulindac as potential modulators for inhibiting tRXR alpha-dependent AKT activation. A new compound 30 was identified to have improved biological activity. (C) 2013 Elsevier Masson SAS. All rights reserved.