2-[3,5-diethyl-4-(2-fluorophenoxy)-1H-pyrazol-1-yl]ethanol | 473919-74-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[3,5-diethyl-4-(2-fluorophenoxy)-1H-pyrazol-1-yl]ethanol
• 英文别名: 2-[3,5-Diethyl-4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
• CAS: 473919-74-3
• 化学式: C₁₅H₁₉FN₂O₂
• 分子量: 278.326
• InChiKey: XSQURKUBVDDYAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-肼基乙醇 、 4-(2-fluorophenoxy)heptane-3,5-dione 在 溶剂黄146 作用下， 生成 2-[3,5-diethyl-4-(2-fluorophenoxy)-1H-pyrazol-1-yl]ethanol
  参考文献：
  名称：

  Pyrazole NNRTIs 3: Optimisation of physicochemical properties

  摘要：

  Our efforts to reduce overall lipophilicity and increase ligand-lipophilicity efficiency (LLE) by modification of the 3- and 5-substituents of pyrazole 1, a novel non-nucleoside HIV reverse transcriptase inhibitor (NNRTI) prototype were unsuccessful. In contrast replacement of the substituted benzyl group with corresponding phenylthio or phenoxy groups resulted in marked improvements in potency, ligand efficiency (LE) and LLE. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.043

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）。
• [EN] PYRAZOLE DERIVATIVES FOR TREATING HIV<br/>[FR] DERIVES DE PYRAZOLE POUR LE TRAITEMENT DE VIH
  申请人：PFIZER LTD

  公开号：WO2002085860A1

  公开（公告）日：2002-10-31

  This invention relates to pyrazole derivatives of the formula, 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 implacated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Aquired Immune Deficiency Syndrome (AIDS).

  本发明涉及以下式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在说明中有定义，以及其制备过程、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。本发明化合物结合酶逆转录酶并且是其调节剂，特别是抑制剂。因此，本发明化合物在治疗各种疾病方面是有用的，包括那些需要抑制逆转录酶的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和基因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）。
• Pyrazole derivatives for treating HIV
  申请人：Pfizer Limited

  公开号：EP1762567A1

  公开（公告）日：2007-03-14

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

  本发明涉及式（1）的吡唑衍生物 或其药学上可接受的盐、溶液或衍生物（其中 R1 至 R4 的定义见说明），以及其制备工艺、制备过程中使用的中间体、含有它们的组合物和此类衍生物的用途。 本发明的化合物与逆转录酶结合，是其调节剂，特别是抑制剂。因此，本发明的化合物可用于治疗各种疾病，包括那些与抑制逆转录酶有关的疾病。相关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（艾滋病）。
• PYRAZOLE DERIVATIVES FOR TREATING HIV
  申请人：Pfizer Limited

  公开号：EP1377556A1

  公开（公告）日：2004-01-07
• Pyrazole NNRTIs 3: Optimisation of physicochemical properties
  作者：Charles E. Mowbray、Romuald Corbau、Michael Hawes、Lyn H. Jones、James E. Mills、Manos Perros、Matthew D. Selby、Paul A. Stupple、Rob Webster、Anthony Wood

  DOI：10.1016/j.bmcl.2009.08.043

  日期：2009.10

  Our efforts to reduce overall lipophilicity and increase ligand-lipophilicity efficiency (LLE) by modification of the 3- and 5-substituents of pyrazole 1, a novel non-nucleoside HIV reverse transcriptase inhibitor (NNRTI) prototype were unsuccessful. In contrast replacement of the substituted benzyl group with corresponding phenylthio or phenoxy groups resulted in marked improvements in potency, ligand efficiency (LE) and LLE. (C) 2009 Elsevier Ltd. All rights reserved.