(E)-CC-5079 | 1198105-53-1

• 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: (E)-CC-5079
• 英文别名: (E)-3-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)acrylonitrile；(E)-3-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile
• CAS: 1198105-53-1
• 化学式: C₁₉H₁₉NO₄
• 分子量: 325.364
• InChiKey: QNZGJJKAOJFFSP-REZTVBANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  60.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异丁香酚甲醚 在 叠氮基三甲基硅烷 、 四丁基溴化铵 、 potassium acetate 、 palladium diacetate 、 氯化锆(IV) 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 28.0h， 生成 (E)-CC-5079
  参考文献：
  名称：

  从 C-木质素衍生的丙烯基儿茶酚可持续生产生物活性分子

  摘要：

  丢弃到生物活性分子：丙烯基儿茶酚是天然存在的儿茶基木质素的直接解聚产物，其多样化的功能化产生了一系列功能性分子骨架。从蓖麻种皮开始，以比报道的合成路线更高的步骤效率合成了annuloline（天然产物）和CC-5079 （抗肿瘤）。

  DOI：

  10.1002/cssc.202200646

文献信息

• Diphenylethylene compounds and uses thereof
  申请人：Muller W. George

  公开号：US20080114061A1

  公开（公告）日：2008-05-15

  The present invention relates to Diphenylethylene Compounds and compositions comprising a Diphenylethylene Compound. The present invention also relates to methods for preventing or treating various diseases and disorders by administering to a subject in need thereof one or more Diphenylethylene Compounds. In particular, the invention relates to methods for preventing or treating cancer or an inflammatory disorder by administering to a subject in need thereof one or more Diphenylethylene Compounds. The present invention further relates to articles of manufacture and kits comprising one or more Diphenylethylene Compounds.

  本发明涉及二苯乙烯化合物及包含二苯乙烯化合物的组合物。本发明还涉及通过向需要治疗的受体内给予一种或多种二苯乙烯化合物来预防或治疗各种疾病和障碍的方法。特别是，本发明涉及通过向需要治疗的受体内给予一种或多种二苯乙烯化合物来预防或治疗癌症或炎症性疾病的方法。本发明还涉及包含一种或多种二苯乙烯化合物的制品和套件。
• Copper-Catalyzed Stereoselective Hydroarylation of 3-Aryl-2- propynenitriles with Arylboronic Acids
  作者：Yoshihiko Yamamoto、Tsuyoshi Asatani、Naohiro Kirai

  DOI：10.1002/adsc.200900067

  日期：2009.6

  Abstractmagnified imageThe selective synthesis of 3,3‐diarylacrylonitriles has been achieved by copper‐catalyzed hydroarylation of 3‐aryl‐2‐propynenitriles with arylboronic acids. The starting cyanoalkynes were efficiently prepared from the appropriate aromatic aldehydes and diethyl cyanomethylphosphonate in two steps. The hydroarylation of the obtained cyanoalkyne substrates proceeded in methanol at ambient temperature to produce 3,3‐diarylacrylonitriles in good to high yields with excellent syn selectivity. The present method was successfully applied to the regiospecific synthesis of both stereoisomers of CC‐5079, which was recently reported as a potent anticancer drug.
• US7312241B2
  申请人：——

  公开号：US7312241B2

  公开（公告）日：2007-12-25
• US7470723B2
  申请人：——

  公开号：US7470723B2

  公开（公告）日：2008-12-30
• [EN] DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSES DE DIPHENYLETHYLENE ET LEURS UTILISATIONS
  申请人：CELGENE CORP

  公开号：WO2006026747A2

  公开（公告）日：2006-03-09

  The present invention relates to Diphenylethylene Compounds and compositions comprising a Diphenylethylene Compound. The present invention also relates to methods for preventing or treating various diseases and disorders by administering to a subject in need thereof one or more Diphenylethylene Compounds. In particular, the invention relates to methods for preventing or treating cancer or an inflammatory disorder by administering to a subject in need thereof one or more Diphenylethylene Compounds. The present invention further relates to articles of manufacture and kits comprising one or more Diphenylethylene Compounds.