5-methoxyisophthalonitrile | 453565-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-methoxyisophthalonitrile
• 英文别名: 3,5-dicyanomethoxybenzene；5-methoxybenzene-1,3-dicarbonitrile
• CAS: 453565-53-2
• 化学式: C₉H₆N₂O
• 分子量: 158.159
• InChiKey: DPWSWPFEKRLLHT-UHFFFAOYSA-N

物化性质

• 沸点：
  261.3±30.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-methoxyisophthalonitrile 在 sodium hydroxide 、 盐酸羟胺 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 以329 mg (45%)的产率得到3-cyano-5-methoxyphenyl-amidoxime
  参考文献：
  名称：

  Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

  摘要：

  本发明提供了作为代谢型谷氨酸受体拮抗剂的化合物和药物组合物，用于治疗神经系统疾病和障碍。还公开了制备这些化合物的方法。

  公开号：

  US20030055085A1
• 作为产物：
  描述：

  3,5-二溴苯甲醚 在 tris-(dibenzylideneacetone)dipalladium(0) 、 1,1'-bis(diphenylphosphino)ferrocene zinc cyanide 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 14.0h， 生成 5-methoxyisophthalonitrile
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES AS REVERSE TRANSCRIPTASE INHIBITORS
  [FR] DERIVES DE PYRAZOLE UTILISES EN TANT QU'INHIBITEURS DE LA TRANSCRIPTASE INVERSE

  摘要：

  该发明涉及式（I）的吡唑衍生物或其药用可接受的盐、溶剂或衍生物，其中R'至R4在描述中有定义，并涉及其制备方法、制备中使用的中间体、含有它们的组合物以及这些衍生物的用途。本发明的化合物结合酶逆转录酶，并且是调节剂，特别是其抑制剂。因此，本发明的化合物可用于治疗多种疾病，包括那些与逆转录酶抑制有关的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。

  公开号：

  WO2004029042A1

文献信息

• [EN] PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS<br/>[FR] PYRAZOLE AMIDES DESTINES AU TRAITEMENT D'INFECTIONS PAR LE VIH
  申请人：PFIZER LTD

  公开号：WO2004029051A1

  公开（公告）日：2004-04-08

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivative thereof, wherein R' to R4, n W, X and Y are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful ín the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  这项发明涉及式(I)的吡唑衍生物或其药用可接受的盐、溶剂或衍生物，其中R'到R4、n、W、X和Y在描述中有定义，并涉及其制备方法、用于制备它们的中间体、含有它们的组合物以及这些衍生物的用途。本发明的化合物结合到酶逆转录酶上，并且是其调节剂，特别是其抑制剂。因此，本发明的化合物在治疗各种疾病中是有用的，包括那些逆转录酶抑制被牵涉其中的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关的逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。
• Pyrazole derivatives
  申请人：Edwards John Paul

  公开号：US20050054707A1

  公开（公告）日：2005-03-10

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivative thereof, wherein R 1 to R 4 are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式(I)的吡唑衍生物或其药用可接受的盐、溶剂化合物或衍生物，其中R1至R4在描述中有定义，以及其制备方法、用于制备它们的中间体、含有它们的组合物以及这些衍生物的用途。本发明的化合物结合到酶逆转录酶，并且是调节剂，特别是其抑制剂。因此，本发明的化合物在治疗各种疾病中有用，包括那些与逆转录酶抑制有关的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和与之遗传相关的逆转录病毒引起的疾病，例如获得性免疫缺陷综合征（AIDS）。
• [EN] 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV<br/>[FR] DERIVES DE 4-(3,5-DICYANOPHENOXY)PYRAZOLE UTILISES COMME MODULATEURS DE LA TRANSCRIPTASE INVERSE DANS LE TRAITEMENT, ENTRE AUTRES, DU VIH
  申请人：PFIZER LTD

  公开号：WO2004024147A1

  公开（公告）日：2004-03-25

  This invention relates to the pyrazole derivatives of formula (I) and pharmaceutically acceptable salt, solvate or derivatives thereof, to their use in medicine, to compositions containing them, to processes for their preparation and to intermediates used in such processes. The compounds of the invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors, thereof. Reverse transcriptase is implicated in the infectious lifecycle of Human Immunodeficiency Virus (HIV). Compounds which interfere with the function of this enzyme have shown utility in the treatment of conditions caused by HIV and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式(I)的吡唑衍生物及其药用盐、溶剂合物或衍生物，以及它们在医学上的用途，含有它们的组合物，用于它们的制备过程以及用于此类过程中使用的中间体。本发明的化合物与酶逆转录酶结合，并调节其作用，特别是抑制其作用。逆转录酶参与人类免疫缺陷病毒（HIV）的传染周期。干扰该酶功能的化合物已被证明在治疗由HIV和遗传相关逆转录病毒引起的疾病中具有实用性，如获得性免疫缺陷综合症（AIDS）。
• [EN] PYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS FOR HIV MEDIATED DISEASES<br/>[FR] DERIVES DE PYRAZOLE ET UTILISATION DE CEUX-CI COMME AGENTS THERAPEUTIQUES DESTINES AUX MALADIES INDUITES PAR LE VIH
  申请人：PFIZER LIMTED

  公开号：WO2004031156A1

  公开（公告）日：2004-04-15

  This invention relates to pyrazole derivatives of formula (I)or pharmaceutically acceptable salts, solvates or derivative thereof, wherein R' to R4; ;ark defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition' of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  该发明涉及式(I)的吡唑衍生物或其药用可接受的盐、溶剂化合物或其衍生物，其中R'至R4在描述中有定义，并且涉及其制备方法、制备中使用的中间体、含有它们的组合物以及这种衍生物的用途。本发明的化合物与酶逆转录酶结合，并且是其调节剂，特别是抑制剂。因此，本发明的化合物在治疗各种疾病中具有用途，包括那些逆转录酶抑制剂被涉及的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。
• [EN] PYRAZOLE DERIVATIVES<br/>[FR] DERIVES DE PYRAZOLE
  申请人：PFIZER LTD

  公开号：WO2004031178A1

  公开（公告）日：2004-04-15

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivative thereof, wherein R1 to R4, n W, X and Y are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful in the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式(I)的吡唑衍生物或其药用可接受的盐、溶剂或衍生物，其中R1至R4、n、W、X和Y在描述中有定义，并涉及其制备方法、制备中所用的中间体、含有它们的组合物以及这些衍生物的用途。本发明的化合物与酶逆转录酶结合，是其调节剂，特别是其抑制剂。因此，本发明的化合物在治疗包括逆转录酶抑制在内的各种疾病中是有用的。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关逆转录病毒引起的疾病，如获得性免疫缺陷综合征（AIDS）。