5-[1-(2-cyano-ethyl)-3-ethyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yloxy]-isophthalonitrile | 676995-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[1-(2-cyano-ethyl)-3-ethyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yloxy]-isophthalonitrile
• 英文别名: 5-[[1-(2-cyanoethyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile
• CAS: 676995-23-6
• 化学式: C₁₆H₁₃N₅O₂
• 分子量: 307.312
• InChiKey: PNYFDTZHVIKHMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Pyrazole derivatives
  申请人：Pfizer, Inc.

  公开号：US20040110816A1

  公开（公告）日：2004-06-10

  This invention relates to pyrazole derivatives of formula (I) 1 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 Immunodeficiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  本发明涉及式（I）1的吡唑衍生物或其药学上可接受的盐、溶剂或衍生物，其中R1至R4在说明中定义，以及其制备过程、用于制备的中间体、含有它们的组合物以及这些衍生物的用途。本发明化合物结合酶反转录酶并调节其作用，特别是抑制其作用。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）。
• US7230025B2
  申请人：——

  公开号：US7230025B2

  公开（公告）日：2007-06-12