3-{[3,5-Diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}-5-(methylsulfinyl)benzonitrile | 473922-67-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-{[3,5-Diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}-5-(methylsulfinyl)benzonitrile
• 英文别名: 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-methylsulfinylbenzonitrile
• CAS: 473922-67-7
• 化学式: C₁₇H₂₁N₃O₃S
• 分子量: 347.438
• InChiKey: HMEGMKFAOVYDPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  水 、 3-{[3,5-Diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}-5-(methylsulfanyl)benzonitrile 、 Potassium;oxido hydrogen sulfite 在 alumina 、 二氯甲烷 、 silica gel 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以methanol (a gradient from 99:1 to 90:10, by volume) to provide the title compound (92 mg) as an oil的产率得到3-{[3,5-Diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}-5-(methylsulfinyl)benzonitrile
  参考文献：
  名称：

  Pyrazole derivatives

  摘要：

  本发明涉及式（I）的吡唑衍生物或其药学上可接受的盐、溶剂或衍生物，以及其制备方法、用于其制备的中间体、含有它们的组合物和这些衍生物的用途。本发明的化合物结合到酶逆转录酶并且是调节剂，特别是抑制剂。因此，本发明的化合物在治疗多种疾病中有用，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症（AIDS）。

  公开号：

  US07109228B2

文献信息

• Pyrazole derivatives
  申请人：——

  公开号：US20030100554A1

  公开（公告）日：2003-05-29

  This invention relates to pyrazole derivatives of formula (I) 1 or pharmaceutically acceptable salts, solvates or derivatives thereof, 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).

  这项发明涉及式(I)1的吡唑衍生物或药学上可接受的盐、溶剂合物或衍生物，以及其制备方法、用于其制备的中间体、含有它们的组合物和这些衍生物的用途。本发明的化合物与酶逆转录酶结合，并且是其调节剂，特别是其抑制剂。因此，本发明的化合物在治疗各种疾病方面具有用途，包括那些涉及逆转录酶抑制的疾病。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）。
• Pyrazole Derivatives
  申请人：Jones Lyn Howard

  公开号：US20120029192A1

  公开（公告）日：2012-02-02

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivatives thereof, 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学上可接受的盐，溶剂或衍生物，以及其制备方法，用于制备中间体的组合物和这些衍生物的用途。本发明的化合物结合酶逆转录酶并且是调节剂，特别是抑制剂。因此，本发明的化合物在治疗包括逆转录酶抑制剂在内的多种疾病方面是有用的。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，例如获得性免疫缺陷综合症（AIDS）。
• PYRAZOLE DERIVATIVES
  申请人：JONES Lyn Howard

  公开号：US20090215712A1

  公开（公告）日：2009-08-27

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivative thereofs, wherein R1 to R4 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 Immunodeficiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式（I）的吡唆烷衍生物或其药学上可接受的盐、溶剂或衍生物，其中R1到R4在描述中定义，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。本发明化合物与酶反转录酶结合，并且是调节剂，特别是抑制剂。因此，本发明化合物在治疗多种疾病中有用，包括那些与反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 FOR TREATING HIV
  申请人：Pfizer Limited

  公开号：EP1377556B1

  公开（公告）日：2007-04-04
• Pyrazole derivatives for treating HIV
  申请人：Pfizer Limited

  公开号：EP1762567B1

  公开（公告）日：2012-05-02