(1E,6E)-4-(3,4-dimethoxybenzylidene)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione | 1039760-80-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (1E,6E)-4-(3,4-dimethoxybenzylidene)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
• 英文别名: (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]hepta-1,6-diene-3,5-dione
• CAS: 1039760-80-9
• 化学式: C₃₂H₃₂O₈
• 分子量: 544.601
• InChiKey: ZSPKTMCBCNVOGO-INOXDZRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  溶剂黄146 、 (1E,6E)-4-(3,4-dimethoxybenzylidene)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione 在 一水合肼 作用下， 反应 3.0h， 以69%的产率得到(E)-1-acetyl-5-(3',4'-dimethoxyphenyl)-3-(3',4'-dimethoxystyryl)-2-pyrazoline
  参考文献：
  名称：

  (E)-s-trans-1-乙酰-5-芳基-3-苯乙烯基-2-吡唑啉的合成和多核核磁共振研究

  摘要：

  三亚芳基乙酰丙酮与水合肼在乙酸中的反应通过去肉桂酰化提供了极好的 (E)-s-反式-1-乙酰基-5-芳基-3-苯乙烯基-2-吡唑啉收率。这些化合物的结构使用 1H、13C 和二维 NMR 技术如 H,H-COSY、C,H-COSY、NOESY 和 HMBC 进行阐明。还获得了这些化合物的 15N NMR 数据并讨论了结果。版权所有 © 1999 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1097-458x(199902)37:2<133::aid-mrc419>3.0.co;2-j
• 作为产物：
  描述：

  3,4-二甲氧基苯甲醛 、 乙酰丙酮 在 吡啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 以70%的产率得到(1E,6E)-4-(3,4-dimethoxybenzylidene)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
  参考文献：
  名称：

  Synthesis and Identification of New 4-Arylidene Curcumin Analogues as Potential Anticancer Agents Targeting Nuclear Factor-κB Signaling Pathway

  摘要：

  A series of curcumin analogues including new 4-arylidene curcumin analogues (4-arylidene-1,7-bisarylhepta-1,6-diene-3,5-diones) were synthesized. Cell growth inhibition assays revealed that most 4-arylidene curcumin analogues can effectively decrease the growth of a panel of lung cancer cells at submicromolar and low micromolar concentrations. High content analysis technology coupled with biochemical studies showed that this new class of 4-arylidene curcumin analogues exhibits significantly improved NF-kappa B inhibition activity over the parent compound curcumin, at least in part by inhibiting I kappa B phosphorylation and degradation via IKK blockage; selected 4-arylidene curcumin analogues also reduced the tumorigenic potential of cancer cells in a clonogenic assay.

  DOI：

  10.1021/jm1004545

文献信息

• COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4-4-DISUBSTITUTED-HEPTA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF
  申请人：Allianz Pharmascience Ltd.

  公开号：US20160264539A1

  公开（公告）日：2016-09-15

  The present invention relates to compounds having at least one (substituted phenyl)-propenal moiety. The compounds are useful in treating a subject suffering from an androgen receptor-associated medical condition, e.g., inflammation, acne, alopecia, hirsutism, wound, Spinal and Bulbar Muscular Atrophy (SBMA, Kennedy's Disease), unwanted immune response, immune disorder, or cancer.

  本发明涉及至少具有一个（取代苯基）-丙烯醛基团的化合物。这些化合物可用于治疗患有雄激素受体相关医疗状况的受试者，例如炎症、痤疮、脱发、多毛症、创伤、脊髓和延髓肌肉萎缩症（SBMA，肯尼迪病）、不需要的免疫反应、免疫障碍或癌症。
• COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USE THEREOF
  申请人：Allianz Pharmascience Ltd

  公开号：EP2993165A2

  公开（公告）日：2016-03-09

  The present invention includes compounds, pharmaceuticals and cosmetics having at least one (substituted phenyl)-propenal moiety. The compounds and compositions of the present invention are useful in the treatment or prevention of many medical conditions such as androgen associated conditions. The present invention also includes methods of treating a medical condition including an androgen associated condition, using at least one of the disclosed compounds.

  本发明包括至少具有一个（取代苯基）-丙烯醛分子的化合物、药品和化妆品。本发明的化合物和组合物可用于治疗或预防多种疾病，如雄激素相关疾病。本发明还包括使用至少一种已公开化合物治疗包括雄激素相关病症在内的病症的方法。
• COMPOUNDS WITH (1E,6E)-1,7-BIS-(3,4- DIMETHOXYPHENYL)-4,4-DISSTITUTED-HEPA-1,6-DIENE-3,5-DI-ONE STRUCTURAL SCAFFOLD,THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF
  申请人：Allianz Pharmascience Ltd

  公开号：EP3150203A1

  公开（公告）日：2017-04-05

  The present invention includes compounds, pharmaceuticals and cosmetics having at least one (substituted phenyl)-propenal moiety. The compounds and compositions of the present invention are useful in the treatment or prevention of medical conditions including androgen associated conditions, androgen associated inflammation, a wound (the compounds assist with wound healing), acne, rheumatoid arthritis, psoriasis, rosacea, and alopecia; Kennedy's disease (spinal and bulbar muscular atrophy, or SBMA), polyglutamine-mediated motor neuron degeneration; cancer such as prostate cancer, bladder cancer, breast cancer, ovarian cancer, hepatocellular (liver) cancer, and pancreatic cancer; and other medical conditions described herein. Treatment of such medical condition includes administering to an individual suffering from a medical condition describe herein, a therapeutically effective amount of any of the disclosed compounds, their derivatives, or pharmaceutical compositions thereof.

  本发明包括至少具有一个（取代苯基）-丙烯醛分子的化合物、药品和化妆品。本发明的化合物和组合物可用于治疗或预防医学病症，包括雄激素相关病症、雄激素相关炎症、伤口（化合物有助于伤口愈合）、痤疮、类风湿性关节炎、牛皮癣、酒渣鼻和脱发；肯尼迪病（脊髓和球部肌肉萎缩症，或 SBMA）、多聚谷氨酰胺介导的运动神经元变性；癌症，如前列腺癌、膀胱癌、乳腺癌、卵巢癌、肝癌和胰腺癌；以及本文所述的其他病症。对此类病症的治疗包括向患有本文所述病症的个体施用治疗有效量的任何已公开化合物、其衍生物或其药物组合物。
• WO2008/85984
  申请人：——

  公开号：——

  公开（公告）日：——
• US8236852B2
  申请人：——

  公开号：US8236852B2

  公开（公告）日：2012-08-07