6,7-二甲氧基-1-(4-氯-2-氨基苯基)-1,2,3,4-四氢异喹啉 | 62206-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: 6,7-二甲氧基-1-(4-氯-2-氨基苯基)-1,2,3,4-四氢异喹啉
• 英文名称: 6,7-dimethoxy-1-(4-chloro-2-aminophenyl)-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 5-chloro-2-(6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-aniline；5-Chloro-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
• CAS: 62206-17-1
• 化学式: C₁₇H₁₉ClN₂O₂
• 分子量: 318.803
• InChiKey: VUADPOYIHKDPEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  56.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯-2-硝基苯甲酰氯 在 吡啶 、 sodium tetrahydroborate 、 tin(ll) chloride 、 三氯氧磷 作用下， 以 甲醇 、 乙酸乙酯 、 乙腈 、 苯 为溶剂， 反应 32.0h， 生成 6,7-二甲氧基-1-(4-氯-2-氨基苯基)-1,2,3,4-四氢异喹啉
  参考文献：
  名称：

  Synthesis and antitumor activity of cis-dichloroplatinum(II) complexes of 1-(2-aminophenyl)-1,2,3,4-tetrahydroisoquinolines

  摘要：

  Fifteen cis-dichloroplatinum complexes (5a-5o) were synthesized by treatment of 1-(2-aminophenyl)-1,2,3,4-THIQs (4a-4o) with K2PtCl4. The antitumor activity of these compounds was examined against four different human tumor cell lines. Their structure-activity relationships for antitumor activity are reported. All of these compounds exhibited activity against MCF-7 cell line and showed good activity against WiDr cell line except 5c and 5f On the other hand, compounds 5j and 5o are more active than the other compounds against Hepa59T/VGH cell line. The electron-donating group at the 6-position of isoquinoline ring seems to decrease the antitumor activity and the chloro substituent at the C-4 position of the aniline ring shown the highest potency. The "trans influence" dominates the control of the stability of [1-(2-aminophenyl)1,2,3,4-THIQ]dichloroplatinums(II). (c) 2006 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.03.011