1-[4-butylbenzyl]isoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-[4-butylbenzyl]isoquinoline
• 英文别名: BIQ；1-(4-Butylbenzyl)Isoquinoline；1-[(4-butylphenyl)methyl]isoquinoline
• 化学式: C₂₀H₂₁N
• 分子量: 275.393
• InChiKey: WCAVKYHIWOXXMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (4-butylphenyl)(1-isoquinolyl)ketone 、 一水合肼 、 氢氧化钾 、 在 乙酸乙酯 、 水 、 magnesium sulfate 、 silica gel 作用下， 以 二乙二醇 为溶剂， 反应 5.5h， 以to give the title compound (914 mg)的产率得到1-[4-butylbenzyl]isoquinoline
  参考文献：
  名称：

  Fungal cell wall synthesis gene

  摘要：

  本发明提供了一种隔离的DNA，编码具有对公式Ia化合物赋予真菌抗性活性的GWT1蛋白，其中GWT1蛋白功能缺陷导致真菌细胞壁中糖基磷脂酰肌醇（GPI）锚定蛋白的数量减少。

  公开号：

  US07999090B2

文献信息

• COMPOUNDS FOR TREATING INFECTIOUS DISEASES
  申请人：Whatehead Institute for Biomedical Research

  公开号：US20150284356A1

  公开（公告）日：2015-10-08

  The present invention provides compounds of Formula I, pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting fungal or parasitic growth. The compounds are useful as inhibitors of glycosylphosphatidylinositol (GPI)-anchor biosynthesis, in particular, as inhibitors of fungal Gwt1 activity. The present invention further provides methods of using the compounds described herein for treating fungal or parasitic infections. The compounds can also be used as biological probes to study the effects of inhibiting Gwt1 activity.

  本发明提供了式I的化合物，其药用盐以及药物组合物。本发明的化合物对抑制真菌或寄生虫生长有用。这些化合物可用作糖基磷脂酰肌醇（GPI）锚定生物合成的抑制剂，特别是作为真菌Gwt1活性的抑制剂。本发明还提供了利用本文所述化合物治疗真菌或寄生虫感染的方法。这些化合物还可用作生物探针，用于研究抑制Gwt1活性的影响。
• FUNGAL CELL WALL SYNTHESIS GENE
  申请人：Tsukahara Kappei

  公开号：US20090325228A1

  公开（公告）日：2009-12-31

  A reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered. Further, genes conferring resistance to the above compounds were identified and methods of screening for compounds that inhibit the activity of the proteins encoded by these genes were developed. Therefore, through the novel compounds, the present invention showed that antifungal agents having a novel mechanism, i.e. inhibiting the process that transports GPI-anchored proteins to the cell wall, could be achieved.

  一个反映将GPI锚定蛋白质运输到细胞壁的传输过程的报告系统被构建，发现了抑制这一过程的化合物。此外，鉴定了赋予对上述化合物抗性的基因，并开发了筛选抑制这些基因编码的蛋白质活性的化合物的方法。因此，通过新型化合物，本发明展示了可以实现一种新颖机制的抗真菌剂，即抑制将GPI锚定蛋白质运输到细胞壁的过程。
• Methods of screening for compounds that inhibit the biosynthesis of gpi in malaria parasites
  申请人：Hata Katsura

  公开号：US20060172404A1

  公开（公告）日：2006-08-03

  The present inventors succeeded in isolating GWT1 (PfGWT1), which is one of the enzymes involved in GPI biosynthesis in the malaria parasite P. falciparum . In addition, the inventors revealed that degenerate mutant DNAs, with a lower AT content than the DNA encoding the PfGWT1 protein, can complement the phenotype of GWT 1 -deficient yeast. Based on the findings, the present invention provides the GWT1 protein of malaria parasites and the use of the protein in methods of screening for antimalarial drugs. The present invention also provides degenerate mutant DNAs encoding proteins involved in GPI biosynthesis, and which have a lower AT content than the original DNAs. The present invention also provides methods of screening for antimalarial drugs which use the degenerate mutant DNAs.

  本发明人成功分离出 GWT1（PfGWT1），它是参与疟原虫 GPI 生物合成的酶之一。 恶性疟原虫 .此外，本发明人还发现，AT 含量低于 PfGWT1 蛋白编码 DNA 的退化突变 DNA 可以补充 GWT 1 -缺陷酵母的表型。基于这些发现，本发明提供了疟原虫的 GWT1 蛋白，并将该蛋白用于抗疟药物的筛选方法中。本发明还提供了编码参与 GPI 生物合成的蛋白质的退化突变 DNA，其 AT 含量低于原始 DNA。本发明还提供了使用退化突变 DNA 筛选抗疟药物的方法。
• METHODS OF SCREENING FOR COMPOUNDS THAT INHIBIT THE BIOSYNTHESIS OF GPI IN MALARIA PARASITES
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1565749B1

  公开（公告）日：2011-09-21
• METHOD OF SCREENING FOR COMPOUNDS THAT INHIBIT THE ENZYMATIC ACTIVITY OF GWT1 GENE PRODUCT
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1564299B1

  公开（公告）日：2007-06-20