tert-butyl (1S,3S)-3-[(4-chloroanilino)methyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate | 1263815-47-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: tert-butyl (1S,3S)-3-[(4-chloroanilino)methyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1263815-47-9
• 化学式: C₃₀H₃₅ClN₂O₅
• 分子量: 539.071
• InChiKey: ZIESNTWVLKUFHW-FIPFOOKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  69.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (1S,3S)-3-[(4-chloroanilino)methyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate 在 二甲基硫 、 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 0.5h， 生成 N-(4-chlorophenyl)-N-[((1S,3S)-6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amine
  参考文献：
  名称：

  Synthesis and cytotoxicity of cis-dichloroplatinum (II) complexes of (1S,3S)-1,2,3,4-tetrahydroisoquinolines

  摘要：

  A series of novel cisplatin-type platinum complexes with (1S,3S)-1,2,3,4-tetrahydroisoquinolines as the ligands were synthesized as potential anticancer agents in several steps starting from commercially available L-DOPA. The cytotoxicities of these compounds were tested against HCT-8, BEL-7402, A2780, MCF-7, Hela, A549 and BGC-823 cell lines by the MTT test. Some compounds exhibited better cytotoxic activity than cisplatin. The structure-activity relationship has been revealed. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.025
• 作为产物：
  描述：

  在 sodium cyanoborohydride 、 溶剂黄146 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 tert-butyl (1S,3S)-3-[(4-chloroanilino)methyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
  参考文献：
  名称：

  Synthesis and cytotoxicity of cis-dichloroplatinum (II) complexes of (1S,3S)-1,2,3,4-tetrahydroisoquinolines

  摘要：

  A series of novel cisplatin-type platinum complexes with (1S,3S)-1,2,3,4-tetrahydroisoquinolines as the ligands were synthesized as potential anticancer agents in several steps starting from commercially available L-DOPA. The cytotoxicities of these compounds were tested against HCT-8, BEL-7402, A2780, MCF-7, Hela, A549 and BGC-823 cell lines by the MTT test. Some compounds exhibited better cytotoxic activity than cisplatin. The structure-activity relationship has been revealed. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.025