3-Cyano-7-methoxy-4-(3,4,5-trimethoxyphenyl)-chroman

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 3-Cyano-7-methoxy-4-(3,4,5-trimethoxyphenyl)-chroman
• 英文别名: 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3-carbonitrile
• 化学式: C₂₀H₂₁NO₅
• 分子量: 355.4
• InChiKey: OGYNLNPJAHMKMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-Cyano-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene 在 氮气 、 钯 、 乙酸乙酯 、 silica gel 作用下， 以 乙酸乙酯 为溶剂， 反应 5.0h， 以yielded 24 mg (72%) as a white solid的产率得到3-Cyano-7-methoxy-4-(3,4,5-trimethoxyphenyl)-chroman
  参考文献：
  名称：

  Substituted 4h-chromens, 2h-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof

  摘要：

  本发明涉及被代替的4H-色烯、2H-色烯、色烷及其类似物，由通式（I）所表示，其中R5、A、B、X、Y、Z和虚线在此定义。本发明还涉及发现具有通式（I）的化合物是caspase的激活剂和凋亡的诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可用于诱导在各种临床情况下出现的异常细胞的无控制生长和扩散的细胞死亡。

  公开号：

  US20050176750A1

文献信息

• Substituted 4h-chromens, 2h-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cai Xiong Sui

  公开号：US20050176750A1

  公开（公告）日：2005-08-11

  The present invention is directed to substituted 4H-chromenes, 2H-chromenes, chromans and analogs thereof, represented by the general Formula (I) wherein R 5 , A, B, X, Y, Z and dotted lines are defined herein. The present invention also relates to the discovery that compounds having Formula (I) are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention can be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及被代替的4H-色烯、2H-色烯、色烷及其类似物，由通式（I）所表示，其中R5、A、B、X、Y、Z和虚线在此定义。本发明还涉及发现具有通式（I）的化合物是caspase的激活剂和凋亡的诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可用于诱导在各种临床情况下出现的异常细胞的无控制生长和扩散的细胞死亡。
• SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF
  申请人：Cytovia, Inc.

  公开号：EP1513515A2

  公开（公告）日：2005-03-16
• US7476741B2
  申请人：——

  公开号：US7476741B2

  公开（公告）日：2009-01-13
• [EN] SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF<br/>[FR] 4H-CHROMENES, 2H-CHROMENES SUBSTITUES, CHROMANS ET ANALOGUES UTILISES COMME ACTIVATEURS DE CASPASES ET INDUCTEURS DE L'APOPTOSE, ET UTILISATION DE CES COMPOSES
  申请人：CYTOVIA INC

  公开号：WO2003096982A2

  公开（公告）日：2003-11-27

  The present invention is directed to substituted 4H-chromenes, 2H-chromenes, chromans and analogs thereof, represented by the general Formula (I) wherein R5, A, B, X, Y, Z and dotted lines are defined herein. The present invention also relates to the discovery that compounds having Formula (I) are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention can be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.
• Substituted 4H-chromens, 2H-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US07476741B2

  公开（公告）日：2009-01-13

  The present invention is directed to substituted 4H-chromenes, 2H-chromenes, chromans and analogs thereof, represented by the general Formula (I) wherein R5, A, B, X, Y, Z and dotted lines are defined herein. The present invention also relates to the discovery that compounds having Formula (I) are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention can be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及一种以一般式（I）表示的取代的4H-色酮、2H-色酮、色烷及其类似物，其中R5、A、B、X、Y、Z和虚线如此定义。本发明还涉及发现具有公式（I）的化合物是caspase的激活剂和诱导凋亡剂。因此，本发明的caspase激活剂和诱导凋亡剂可用于在各种临床情况下诱导细胞死亡，其中不受控制的异常细胞的生长和扩散发生。