3-(4-methoxy-phenyl)-7-trifluoromethyl-1H-indazole | 680611-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-methoxy-phenyl)-7-trifluoromethyl-1H-indazole
• 英文别名: 3-(4-Methoxyphenyl)-7-(trifluoromethyl)-1H-indazole；3-(4-methoxyphenyl)-7-(trifluoromethyl)-2H-indazole
• CAS: 680611-14-7
• 化学式: C₁₅H₁₁F₃N₂O
• 分子量: 292.26
• InChiKey: YCFAWTHYXJFWPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(4-methoxy-phenyl)-7-trifluoromethyl-1H-indazole 、 溴甲苯 、 乙酸乙酯 在 Brine 、 magnesium sulfate 、 ethyl acetate heptane 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以Column chromatography (n-heptane/ethyl acetate, 70:30 as eluent) afforded 61 mg of pure product的产率得到2-benzyl-3-(4-methoxy-phenyl)-7-trifluoromethyl-2H-indazole
  参考文献：
  名称：

  Indazoles useful in treating cardiovascular diseases

  摘要：

  这项发明提供了I式或Ia式化合物：它们可用于治疗或抑制LXR介导的疾病。

  公开号：

  US20060030612A1
• 作为产物：
  描述：

  [2-氟-3-(三氟甲基)苯基]-(4-甲氧基苯基)甲酮 在 吡啶 、 4-二甲氨基吡啶 、 一水合肼 作用下， 生成 3-(4-methoxy-phenyl)-7-trifluoromethyl-1H-indazole
  参考文献：
  名称：

  Synthesis and Activity of Substituted 4-(Indazol-3-yl)phenols as Pathway-Selective Estrogen Receptor Ligands Useful in the Treatment of Rheumatoid Arthritis

  摘要：

  Pathway-selective ligands for the estrogen receptor (ER) inhibit NF-kappaB-mediated inflammatory gene expression causing a reduction of cytokines, chemokines, adhesion molecules, and inflammatory enzymes. SAR development of a series of 4-(indazol-3-yl)phenols has led to the identification of WAY-169916 an orally active nonsteroidal ligand with the potential use in the treatment of rheumatoid arthritis without the classical proliferative effects associated with estrogens.

  DOI：

  10.1021/jm049194+

文献信息

• Methods of treating rheumatoid arthritis using NF-kB inhibitors
  申请人：Harnish Carl Douglas

  公开号：US20050113405A1

  公开（公告）日：2005-05-26

  The present invention concerns a method of treating rheumatoid arthritis by diagnosing that a person is in need of treatment for rheumatoid arthritis and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain embodiments, the administration is with a substantial absence of uterotropic activity.

  本发明涉及一种治疗类风湿性关节炎的方法，通过诊断一个人需要治疗类风湿性关节炎，并且通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的一个相互作用来给予调节NF-kB转录因子的配体的治疗有效量，且在很大程度上缺乏肌酸激酶的刺激。在某些实施例中，给药时很大程度上缺乏子宫营养活性。
• [EN] USE OF ESTROGEN RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE<br/>[FR] UTILISATION DE LIGANDS DE RECEPTEUR D'OESTROGENE POUR LE TRAITEMENT D'UNE MALADIE INTESTINALE INFLAMMATOIRE
  申请人：WYETH CORP

  公开号：WO2005039581A1

  公开（公告）日：2005-05-06

  The present invention concerns a method of treating inflammatory bowel disease by diagnosing that a person is in need of treatment for inflammatory bowel disease and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain preferred embodiments, the administration is substantially without uterotropic activity.

  本发明涉及一种治疗炎症性肠病的方法，通过诊断一个人需要治疗炎症性肠病，并且通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的任一相互作用来给予调节NF-kB转录因子的配体的治疗有效量，且在很大程度上缺乏肌酸激酶刺激。在某些优选实施方式中，给药基本上没有子宫营养活性。
• Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors
  申请人：Chadwick Cyril Christopher

  公开号：US20060111421A1

  公开（公告）日：2006-05-25

  The present invention concerns a method of treatment or prevention of myocardial ischemia-reperfusion injury by diagnosing that a person is in need of treatment or prevention of myocardial ischemia-reperfusion injury and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain preferred embodiments, the administration is substantially without uterotropic activity.

  本发明涉及一种治疗或预防心肌缺血再灌注损伤的方法，通过诊断一个人需要治疗或预防心肌缺血再灌注损伤，并通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的一个或两个相互作用来给予调节NF-kB转录因子的配体的治疗有效量，其中刺激肌酸激酶的作用显著缺乏。在某些优选实施例中，给药基本上不具有子宫营养活性。
• [EN] METHODS OF TREATING ATHEROSCLEROSIS USING NF-kB INHIBITORS<br/>[FR] METHODES DE TRAITEMENT DE L'ATHEROSCLEROSE FAISANT APPEL A DES INHIBITEURS DE NF-KB
  申请人：WYETH CORP

  公开号：WO2005039582A1

  公开（公告）日：2005-05-06

  The present invention concerns a method of treating atherosclerosis by diagnosing that a person is in need of treatment for atherosclerosis and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain preferred embodiments, the administration is substantially without uterotropic activity.

  本发明涉及一种治疗动脉粥样硬化的方法，通过诊断一个人需要接受动脉粥样硬化治疗，并通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的一个相互作用来给予调节NF-kB转录因子的配体的治疗有效量，且在很大程度上缺乏肌酸激酶刺激。在某些优选实施例中，给药基本上不具有子宫营养活性。
• Methods of treating atherosclerosis using NF-kB inhibitors
  申请人：Harnish Carl Douglas

  公开号：US20050119324A1

  公开（公告）日：2005-06-02

  The present invention concerns a method of treating atherosclerosis by diagnosing that a person is in need of treatment for atherosclerosis and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain preferred embodiments, the administration is substantially without uterotropic activity.

  本发明涉及一种治疗动脉粥样硬化的方法，通过诊断一个人需要治疗动脉粥样硬化，并且通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的一个或两个相互作用来给予调节NF-kB转录因子的配体的治疗有效量，且在很大程度上缺乏肌酸激酶的刺激。在某些首选实施例中，给药基本上没有子宫增生活性。