ethyl (3Z,5E)-4-hydroxy-6-[3-methoxy-4-(oxan-2-yloxy)phenyl]-3-[(E)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-enoyl]hexa-3,5-dienoate | 1038864-67-3

• 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: ethyl (3Z,5E)-4-hydroxy-6-[3-methoxy-4-(oxan-2-yloxy)phenyl]-3-[(E)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-enoyl]hexa-3,5-dienoate
• CAS: 1038864-67-3
• 化学式: C₃₅H₄₂O₁₀
• 分子量: 622.712
• InChiKey: JTTFGXBZSFBEGX-DVUDPXCPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  45
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  ethyl (3Z,5E)-4-hydroxy-6-[3-methoxy-4-(oxan-2-yloxy)phenyl]-3-[(E)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-enoyl]hexa-3,5-dienoate 在 4-甲基苯磺酸吡啶 作用下， 以 乙醇 为溶剂， 生成 1,7-bis(4-hydroxy-3-methoxyphenyl)-4-(2-oxo-2-ethoxyethyl)-1,6-heptadiene-3,5-dione
  参考文献：
  名称：

  WO2008/85984

  摘要：

  公开号：
• 作为产物：
  描述：

  5-hydroxy-1,7-bis-[3-methoxy-4-(tetrahydropyran-2-yloxy)-phenyl]-hepta-1,4,6-trien-3-one 、 溴乙酸乙酯 在 potassium carbonate 、 caesium carbonate 作用下， 生成 ethyl (3Z,5E)-4-hydroxy-6-[3-methoxy-4-(oxan-2-yloxy)phenyl]-3-[(E)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-enoyl]hexa-3,5-dienoate
  参考文献：
  名称：

  WO2008/85984

  摘要：

  公开号：

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：SHIH Charles

  公开号：US20150190351A1

  公开（公告）日：2015-07-09

  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 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; cancers 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 conditions 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.

  本发明涉及具有至少一个（取代苯基）丙烯醛基团的化合物、药物和化妆品。本发明的化合物和组合物可用于治疗或预防医学状况，包括雄激素相关状况、雄激素相关炎症、创伤（该化合物有助于创伤愈合）、痤疮、类风湿性关节炎、银屑病、酒渣鼻和脱发；肯尼迪病（脊髓和延髓肌肉萎缩症，或SBMA）、多谷氨酸介导的运动神经元退化；癌症，如前列腺癌、膀胱癌、乳腺癌、卵巢癌、肝细胞癌和胰腺癌；以及本文所述的其他医学状况。治疗此类医学状况包括向患有本文所述医学状况的个体施用所述化合物、其衍生物或其药物组成物的治疗有效量。
• Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof
  申请人：Shih Charles C.Y.

  公开号：US20100292342A1

  公开（公告）日：2010-11-18

  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, acne, alopecia, hirsutism, a wound, prostate cancer, bladder cancer, liver cancer, breast cancer and Kennedy's disease.

  本发明涉及具有至少一个（取代苯基）-丙烯醛基团的化合物、制药品和化妆品。本发明的化合物和组合物在治疗或预防包括雄激素相关疾病、雄激素相关炎症、痤疮、脱发、多毛症、创伤、前列腺癌、膀胱癌、肝癌、乳腺癌和肯尼迪病等医学条件方面有用。
• 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。
• US8202905B2
  申请人：——

  公开号：US8202905B2

  公开（公告）日：2012-06-19
• [EN] COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USES THEREOF<br/>[FR] COMPOSÉS COMPRENANT UN GROUPE CARACTÉRISTIQUE DE PROPÉNAL (SUBSTITUÉ PAR DU PHÉNYLE), LEURS DÉRIVÉS, LEUR ACTIVITÉ BIOLOGIQUE ET LEURS UTILISATIONS
  申请人：ANDROSCIENCE CORP

  公开号：WO2008085984A1

  公开（公告）日：2008-07-17

  [EN] 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.
  [FR] L'invention concerne des composés et des produits pharmaceutiques et cosmétiques, comprenant au moins un groupe caractéristique de propénal (substitué par du phényle). Les composés et compositions selon la présente invention sont utiles dans le traitement et la prévention de nombreuses affections médicales telles que des affections associées aux androgènes. La présente invention comprend également des procédés de traitement d'une affection médicale, y compris une affection associée aux androgènes, en utilisant au moins un des composés décrits.