2-(biphenyl-4-ylethyl)-[2-(3,4-dimethoxyphenyl)ethyl]amine

• 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: 2-(biphenyl-4-ylethyl)-[2-(3,4-dimethoxyphenyl)ethyl]amine
• 英文别名: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenylphenyl)ethanamine
• 化学式: C₂₄H₂₇NO₂
• 分子量: 361.484
• InChiKey: FARFZEPAQGYVHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-联苯乙酸 在 氰基磷酸二乙酯 、 三氟化硼乙醚 、 三乙胺 、 diborane(6) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-(biphenyl-4-ylethyl)-[2-(3,4-dimethoxyphenyl)ethyl]amine
  参考文献：
  名称：

  Discovery of Antiglioma Activity of Biaryl 1,2,3,4-Tetrahydroisoquinoline Derivatives and Conformationally Flexible Analogues

  摘要：

  Cultured rat astrocytes and C6 rat glioma were used as a differential screen for a variety of 1,2,3,4-tetrahydroisoquinoline (THI) derivatives. Compound 1 [1-(biphenyl-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline6,7-diol hydrochloride] selectively blocked the growth of C6 glioma leaving normal astrocytes relatively unaffected. The potential for clinical utility of 1 was further substantiated in human gliomas and other tumor cell lines. Preliminary SAR of this activity was characterized by synthesis and testing of several THI and conformationally flexible variants.

  DOI：

  10.1021/jm060020x

文献信息

• Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy
  申请人：Miller D. Duane

  公开号：US20080033007A1

  公开（公告）日：2008-02-07

  Disclosed are compounds that are effective for selectively killing cancer cells. Compounds have been demonstrated to be especially effective for killing glioma cells, while exhibiting low toxicity to normal cells.

  本发明揭示了一些能够有效选择性杀死癌细胞的化合物。这些化合物已被证明对于杀死胶质瘤细胞特别有效，同时对正常细胞的毒性较低。
• SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE
  申请人：Miller D. Duane

  公开号：US20070270460A1

  公开（公告）日：2007-11-22

  Disclosed are novel substituted tetrahydroisoquinoline compounds, pharmaceutical compositions containing the compounds, methods of making the compounds, and methods of using the compounds to destroy a target cell, such as a cancer cell, and to treat or prevent a cancerous condition.

  本发明涉及新的取代四氢异喹啉化合物、含有该化合物的制药组合物、制备该化合物的方法，以及使用该化合物破坏目标细胞，如癌细胞，并治疗或预防癌症状况的方法。
• US7241774B2
  申请人：——

  公开号：US7241774B2

  公开（公告）日：2007-07-10
• US7718672B2
  申请人：——

  公开号：US7718672B2

  公开（公告）日：2010-05-18