6,7-dimethoxy-2-pentyl-1,2,3,4-tetrahydro-isoquinoline

• 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: 6,7-dimethoxy-2-pentyl-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 6,7-Dimethoxy-2-pentyl-1,2,3,4-tetrahydro-isochinolin；6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
• 化学式: C₁₆H₂₅NO₂
• 分子量: 263.38
• InChiKey: CVKFQOMRMUQNAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6,7-二甲氧基-3,4-二氢异喹啉 在 硫酸 、 水 、 锌 、 苯 作用下， 生成 6,7-dimethoxy-2-pentyl-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  2-Alkyl-1,2,3,4-tetrahydroisoquinoline Hydrochlorides¹

  摘要：

  DOI：

  10.1021/ja01276a023

文献信息

• PEGYLATED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING
  申请人：Mach Robert H.

  公开号：US20120171119A1

  公开（公告）日：2012-07-05

  Pegylated fluoroalkoxybenzamide compounds which selectively bind Sigma-2 receptors are disclosed. These compounds, when labeled with a positron-emitting radioisotope such as 18 F, can be used as radiotracers for medical imaging such as imaging of tumors by positron emission tomography (PET). In addition, these compounds, when labeled with 123 I, can be used as radiotracers for imaging of tumors by single photon emission computed tomography (SPECT). Methods for synthesis of these compounds are also disclosed.

  揭示了选择性结合Sigma-2受体的聚乙二醇化氟烷氧基苯酰胺化合物。这些化合物，当与正电子发射放射性同位素如18F标记时，可用作医学成像的放射示踪剂，例如通过正电子发射断层扫描（PET）成像肿瘤。此外，这些化合物，当与123I标记时，可用作单光子发射计算机断层扫描（SPECT）成像肿瘤的放射示踪剂。还揭示了合成这些化合物的方法。
• Design, synthesis, and antifungal activities in vitro of novel tetrahydroisoquinoline compounds based on the structure of lanosterol 14α-demethylase (CYP51) of fungi
  作者：Ju Zhu、Jiaguo Lu、Youjun Zhou、Yaowu Li、Jun Cheng、Canhui Zheng

  DOI：10.1016/j.bmcl.2006.08.001

  日期：2006.10

  Novel tetrahydroisoquinoline compounds were designed by coupling structure-based de novo design based on the structure of lanosterol 14 alpha-demethylase (CYP51). The chemical synthesis and the antifungal activities in vitro of them were reported. The results exhibited that all of the lead compounds showed potent antifungal activities, in which compounds 6 and 7 had equal or stronger antifungal activities against five test fungi than that of fluconazole. The studies presented here provided the antifungal lead compounds. The affinity of the lead molecules for CYP51 was mainly attributed to their non-bonding interaction with the apoprotein, which was different from the azole antifungal agents. (c) 2006 Elsevier Ltd. All rights reserved.
• US8506927B2
  申请人：——

  公开号：US8506927B2

  公开（公告）日：2013-08-13
• 2-Alkyl-1,2,3,4-tetrahydroisoquinoline Hydrochlorides¹
  作者：Johannes S. Buck、Walter S. Ide

  DOI：10.1021/ja01276a023

  日期：1938.9