ethyl(4-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetate | 1027949-22-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl(4-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
• 英文别名: 2-[4-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
• CAS: 1027949-22-9
• 化学式: C₂₁H₁₈F₄N₂O₄S
• 分子量: 470.445
• InChiKey: WDPRCRVJRUYBFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  97.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  溴乙酸乙酯 、 4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以34%的产率得到ethyl(4-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
  参考文献：
  名称：

  3,4-substituted pyrazoles for the treatment of inflammation

  摘要：

  一类吡唑基化合物用于治疗炎症和炎症相关的疾病。特别感兴趣的化合物由式II定义：其中R.sup.1从氢代基、烷基、烯基、芳基烷基、炔基、氰基烷基、羧基烷基、氨基甲酰基烷基、芳基氨基甲酰基烷基、杂环烷基和烷氧基甲酰基中选择；其中R.sup.3是芳基，在可取代位置上取代为卤素；其中R.sup.4从氢代基和卤代烷基中选择；其中R.sup.5从烷基和氨基中选择；或其药用可接受的盐或前药。

  公开号：

  US05486534A1

文献信息

• Combination of a Cox-2 inhibitor and a DNA topoisomerase I inhibitor for treatment of neoplasia
  申请人：Masferrer L. Jaime

  公开号：US20050187172A1

  公开（公告）日：2005-08-25

  The present invention provides combinations of a Cox-2 inhibitor and a DNA topoisomerase inhibitor and methods of use thereof for preventing and/or treating neoplasia or or a neoplasia-related disorder in a subject.

  本发明提供了一种COX-2抑制剂和DNA拓扑异构酶抑制剂的组合物，以及它们的使用方法，用于预防和/或治疗受试者中的肿瘤或与肿瘤相关的疾病。
• Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation
  申请人：——

  公开号：US20040097573A1

  公开（公告）日：2004-05-20

  The present invention provides the use of a COX-2 inhibitior and an NK-1 receptor antagonist for the treatment or prevention of inflammatory disorders.

  本发明提供了利用COX-2抑制剂和NK-1受体拮抗剂用于治疗或预防炎症性疾病的方法。
• Combination therapy for treating neurodegenerative disease
  申请人：——

  公开号：US20020115689A1

  公开（公告）日：2002-08-22

  The instant invention provides a novel drug combination comprised of an HMG-CoA reductase inhibitor and a selective COX-2 inhibitor, which is useful for treating, preventing, delaying the onset of and/or reducing the risk of developing Alzheimer's disease. One object of the instant invention is to administer the above-described combination therapy to people who do not yet show clinical signs of Alzheimer's disease, but who are at risk of developing Alzheimer's disease. These individuals may already show signs of mild cognitive impairment. Toward this end, the instant invention provides methods for preventing or reducing the risk of developing Alzheimer's by administering the above-described combination therapy to said at risk persons. Such treatment may halt or reduce the rate of further cognitive decline or, in fact, reverse cognitive decline. The present invention also provides for a method of preventing cognitive impairment or dementia, reducing the risk of cognitive decline or impairment or reducing cognitive decline or impairment resulting from stroke, stroke, cerebral ischemia or de-myelinating disorders.

  本发明提供了一种新颖的药物组合，包括HMG-CoA还原酶抑制剂和选择性COX-2抑制剂，用于治疗、预防、延缓阿尔茨海默病的发作和/或减少发展阿尔茨海默病的风险。本发明的一个目的是将上述所述的组合疗法用于尚未表现出阿尔茨海默病临床症状，但处于患阿尔茨海默病风险的人群。这些个体可能已经表现出轻度认知障碍的迹象。为此，本发明提供了通过向上述风险人群施用上述组合疗法来预防或减少发展阿尔茨海默病的方法。这种治疗可能会阻止或减少进一步的认知下降速度，或者实际上逆转认知下降。本发明还提供了一种预防认知障碍或痴呆、减少认知下降或障碍风险或减少由中风、脑卒中、脑缺血或脱髓鞘性疾病导致的认知下降或障碍的方法。
• Method for the treatment, prevention, or inhibition of a CNS disorder and/or pain and inflammation using a combination of reboxetine and a cyclooxygenase-2 selective inhibitor and compositions thereof
  申请人：Pharmacia Corporation

  公开号：US20040204411A1

  公开（公告）日：2004-10-14

  A method of treating, preventing, or inhibiting a CNS disorder and/or pain and inflammation, or an inflammation-associated disorder in a subject in need of such treatment, prevention, or inhibition provides for treating the subject with reboxetine and a cyclooxygenase-2 selective inhibitor or prodrug thereof, wherein the amount of reboxetine and the amount of a cyclooxygenase-2 selective inhibitor or prodrug thereof together constitute a CNS disorder and/or pain and inflammation or inflammation-associateed disorder suppressing treatment, prevention, or inhibition effective amount of the composition. Compositions and pharmaceutical compositions that contain reboxetine and a cyclooxygenase-2 selective inhibitor are also disclosed.

  一种治疗、预防或抑制中枢神经系统疾病和/或疼痛和炎症或与炎症相关的疾病的方法，用于治疗需要此类治疗、预防或抑制的受试者，该方法提供使用雷贝拉唑和环氧合酶-2选择性抑制剂或其前药治疗受试者，其中雷贝拉唑和环氧合酶-2选择性抑制剂或其前药的数量共同构成一种对中枢神经系统疾病和/或疼痛和炎症或炎症相关疾病具有抑制作用的治疗、预防或抑制有效量的组合物。还公开了含有雷贝拉唑和环氧合酶-2选择性抑制剂的组合物和制药组合物。
• COMBINATION OF AN IMMUNOSUPPRESSIVE AGENT AND NONSTEROIDAL ANTI -INFLAMMATORY DRUGS TO TREAT DISEASE
  申请人：Wolfe M. Michael

  公开号：US20090291883A1

  公开（公告）日：2009-11-26

  The present invention provides methods and compositions for the treatment and prevention of neoplasia by administering an effective amount of a NSAID in combination with an effective amount of an immunosuppressant agent. In particular, the present invention provides methods and compositions for the treatment and prevention of neoplasia by administering an effective amount of COX-2 inhibitor in combination with an effective amount of an immunosuppressant agent.

  本发明提供了一种方法和组合物，通过给予有效量的NSAID与有效量的免疫抑制剂来治疗和预防肿瘤。特别地，本发明提供了一种方法和组合物，通过给予有效量的COX-2抑制剂与有效量的免疫抑制剂来治疗和预防肿瘤。