1-(2-chloro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline | 47136-41-4

• 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: 1-(2-chloro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline；1-(2-Chlor-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isochinolin
• CAS: 47136-41-4
• 化学式: C₁₇H₁₈ClNO₂
• 分子量: 303.788
• InChiKey: YMMCFCFPDSAPLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 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：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-chloro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline 、 2-氨基-6-氯嘌呤 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 6-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-9H-purin-2-amine
  参考文献：
  名称：

  SUBSTITUTED HETEROCYCLIC COMPOUNDS

  摘要：

  本发明涉及取代杂环化合物和取代四氢异喹啉化合物以及合成这些化合物的方法。本发明还涉及含有取代苯二氮卓类化合物和取代四氢异喹啉化合物的药物组合物，以及通过向需要的受试者施用这些化合物或药物组合物来治疗细胞增殖性疾病，如癌症的方法。

  公开号：

  US20100249115A1
• 作为产物：
  描述：

  (2-chloro-benzylidene)-(3,4-dimethoxy-phenethyl)-amine 在 三氟乙酸 作用下， 反应 4.0h， 生成 1-(2-chloro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  1-Aryl-tetrahydroisoquinoline analogs as active anti-HIV agents in vitro

  摘要：

  A series of 1-aryl-6,7-dihydroxyl(methoxy)-1,2,3,4-tetrahydroisoquinolines (compounds 1-36) were synthesized via Pictet-Spengler cyclization. All the synthesized compounds were assayed for activities against HIV-1(IIIB) in C8166 cell cultures by MTT method for the first time. The results of the anti-HIV screening revealed that 6,7-dihydroxytetrahydroisoquinolines possessed higher selective index than 6,7-dimethoxyl analogs due to the significantly decreased cytotoxicities. Compounds 6, 24, and 36 showed potent anti-HIV activities with EC50 values of 8.2, 4.6, and 5.3 mu M respectively, and the cytotoxicities (CC50) of these three compounds were 784.3, 727.3, and 687.3 mu M, which resulted in SI values larger than 95, 159, and 130 respectively. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.040

文献信息

• Substituted heterocyclic compounds
  申请人：ArQule, Inc.

  公开号：US08343961B2

  公开（公告）日：2013-01-01

  The present invention relates to substituted heterocyclic compounds and substituted tetrahydroisoquinoline compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted benzodiazepine compounds and substituted tetrahydroisoquinoline compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds or pharmaceutical compositions to subjects in need thereof.

  本发明涉及取代杂环化合物和取代四氢异喹啉化合物及其合成方法。本发明还涉及含有取代苯二氮平化合物和取代四氢异喹啉化合物的制药组合物，以及通过将这些化合物或制药组合物用于需要的受试者治疗细胞增殖性疾病（如癌症）的方法。
• Brzezinska, Elzbieta, Acta poloniae pharmaceutica, 1996, vol. 53, # 5, p. 365 - 371
  作者：Brzezinska, Elzbieta

  DOI：——

  日期：——
• US4001244A
  申请人：——

  公开号：US4001244A

  公开（公告）日：1977-01-04
• US8343961B2
  申请人：——

  公开号：US8343961B2

  公开（公告）日：2013-01-01
• [EN] SUBSTITUTED HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES SUBSTITUÉS
  申请人：ARQULE INC

  公开号：WO2010114894A1

  公开（公告）日：2010-10-07

  The present invention relates to substituted heterocyclic compounds and substituted tetrahydroisoquinoline compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted benzodiazepine compounds and substituted tetrahydroisoquinoline compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds or pharmaceutical compositions to subjects in need thereof.