7-羟基-4-甲氧基-6-氮杂吲哚 | 917918-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 7-羟基-4-甲氧基-6-氮杂吲哚
• 中文别名: 4-甲氧基-1H-吡咯并[2,3-C]吡啶-7(6H)-酮；4-甲氧基-1H-吡咯并[2,3-C]吡啶-7(6H) - 酮
• 英文名称: 7-hydroxy-4-methoxy-6-azaindole
• 英文别名: 7-hydroxyl-4-methoxy-6-azaindole；4-Methoxy-1H-pyrrolo[2,3-c]pyridin-7(6H)-one；4-methoxy-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
• CAS: 917918-80-0
• 化学式: C₈H₈N₂O₂
• mdl: MFCD09907831
• 分子量: 164.164
• InChiKey: KZKAJMZNTBJUNK-UHFFFAOYSA-N

物化性质

• 沸点：
  519.4±50.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  54.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-羟基-4-甲氧基-6-氮杂吲哚 在 三氯氧磷 作用下， 反应 18.0h， 生成 7-氯-4-甲氧基-1H-吡咯并[2,3-c]吡啶
  参考文献：
  名称：

  DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS

  摘要：

  本公开提供具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体而言，该公开涉及具有独特抗病毒活性的二酮哌嗪和哌啶衍生物。更具体地说，本公开涉及用于治疗艾滋病毒和艾滋病的化合物。

  公开号：

  US20070249579A1
• 作为产物：
  描述：

  5-溴-2-氯-3-硝基吡啶 在 盐酸 、 氢化钾 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 水 、 甲苯 为溶剂， 反应 21.0h， 生成 7-羟基-4-甲氧基-6-氮杂吲哚
  参考文献：
  名称：

  Discovery and optimization of novel small-molecule HIV-1 entry inhibitors using field-based virtual screening and bioisosteric replacement

  摘要：

  With the emergence of drug-resistant strains and the cumulative toxicities associated with current therapies, demand remains for new inhibitors of HIV-1 replication. The inhibition of HIV-1 entry is an attractive, yet underexploited therapeutic approach with implications for salvage and preexposure prophylactic regimens, as well as topical microbicides. Using the combination of a field-derived bioactive conformation template to perform virtual screening and iterative bioisosteric replacements, coupled with in silico predictions of absorption, distribution, metabolism, and excretion, we have identified new leads for HIV-1 entry inhibitors. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.10.027

文献信息

• DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS
  申请人：Wang Tao

  公开号：US20070249579A1

  公开（公告）日：2007-10-25

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with diketo piperazine and piperadine derivatives that possess unique antiviral activity. More particularly, the present disclosure relates to compounds useful for the treatment of HIV and AIDS.

  本公开提供具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体而言，该公开涉及具有独特抗病毒活性的二酮哌嗪和哌啶衍生物。更具体地说，本公开涉及用于治疗艾滋病毒和艾滋病的化合物。
• Process for preparing triazole substituted azaindoleoxoacetic piperazine derivatives and novel salt forms produced therein
  申请人：Soundararajan Nachimuthu

  公开号：US20060293304A1

  公开（公告）日：2006-12-28

  A process is provided for preparing triazole substituted azaindoleoxoacetic piperazine derivative. Novel intermediates produced in the above process, and novel N-1 and amorphous forms of a 1,2,3-triazole substituted azaindoloxoacetic piperazine derivatives and processes for producing such novel forms are also provided.

  提供了一种制备三唑取代的氮杂吲哚氧乙酸哌嗪衍生物的过程。上述过程中产生的新型中间体，以及一种1,2,3-三唑取代的氮杂吲哚氧乙酸哌嗪衍生物的新型N-1和非晶形式，以及生产这种新型形式的过程也提供了。
• 4-Squarylpiperazine Derivatives as Antiviral Agents
  申请人：Bachand Carol

  公开号：US20070249624A1

  公开（公告）日：2007-10-25

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with 4-squarylpiperazine derivatives that possess unique antiviral activity. More particularly, the present disclosure relates to compounds useful for the treatment of HIV and AIDS.

  本公开提供具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体而言，该公开涉及具有独特抗病毒活性的4-四氢喹啉基哌嗪衍生物。更具体地说，本公开涉及用于治疗艾滋病毒和艾滋病的化合物。
• NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME
  申请人：DREXEL UNIVERSITY

  公开号：US20160214998A1

  公开（公告）日：2016-07-28

  The present invention includes novel compounds, and compositions comprising same, useful for preventing or treating an HIV-1 infection in a subject in need thereof. The present invention further includes a novel method of preventing or treating an HIV-1 infection in a subject in need thereof, comprising administering to the subject an effective amount of a compound and/or composition of the invention. In certain embodiments, the subject is further administered at least one additional therapeutic agent.

  本发明包括新颖的化合物和包含其的组合物，用于预防或治疗需要的受试者的HIV-1感染。本发明进一步包括一种新颖的方法，用于预防或治疗需要的受试者的HIV-1感染，包括向受试者施用本发明的化合物和/或组合物的有效量。在某些实施方式中，受试者还会接受至少一种额外的治疗药物。
• Diketo-piperazine and piperidine derivatives as antiviral agents
  申请人：Bristol-Myers Squibb Company

  公开号：US07807671B2

  公开（公告）日：2010-10-05

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with diketo piperazine and piperadine derivatives that possess unique antiviral activity useful for the treatment of HIV and AIDS. More particularly, the present disclosure relates to compounds of Formula I, or pharmaceutically acceptable salts thereof, wherein: A is selected from the group consisting of:

  本公开提供具有药物和生物影响性能的化合物，它们的药物组合物和使用方法。特别地，本公开涉及具有独特的抗病毒活性的二酮哌嗪和哌啶衍生物，可用于治疗HIV和艾滋病。更具体地，本公开涉及以下公式I的化合物或其药学上可接受的盐：其中A被选自以下组：