2-吡啶-4-基-1-[4-(三氟甲氧基)苯基]乙酮 | 224040-80-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-吡啶-4-基-1-[4-(三氟甲氧基)苯基]乙酮
• 英文名称: 2-(4-pyridyl)-1-(4-trifluoromethoxyphenyl)ethanone
• 英文别名: 2-(pyridin-4-yl)-1-(4-trifluoromethoxyphenyl)ethanone；2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone
• CAS: 224040-80-6
• 化学式: C₁₄H₁₀F₃NO₂
• 分子量: 281.234
• InChiKey: LSKIMPGHYWPUAE-UHFFFAOYSA-N

物化性质

• 沸点：
  370.0±37.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-吡啶-4-基-1-[4-(三氟甲氧基)苯基]乙酮 在 palladium on activated charcoal 乙酸铵 、 氢气 、 sodium hydride 、 溶剂黄146 、 二甲基亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[5-(1-Methyl-piperidin-4-yl)-2-(4-trifluoromethoxy-phenyl)-1H-pyrrol-3-yl]-pyridine
  参考文献：
  名称：

  Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents

  摘要：

  Several analogs of 2,3-diaryl pyrroles were synthesized and evaluated as inhibitors of Eimeria tenella cGMP-dependent protein kinase and in. in vivo anticoccidial assays. A 4-fluorophenyl group enhances both in vitro and in Vivo activities. The most potent analogs are the-5-(N-methyl, N-ethyl, and N-methylazetidine methyl) piperidyl derivatives 12, 23, and 34. These compounds have a broad spectrum of activity. Based on the in vivo efficacy and cost of synthesis, the N-ethyl analog 23 was chosen as a novel anticoccidial agent for a field trial. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.060
• 作为产物：
  描述：

  4-甲基吡啶 、 -4-(三氟甲氧基)苯甲酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 2-吡啶-4-基-1-[4-(三氟甲氧基)苯基]乙酮
  参考文献：
  名称：

  Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents

  摘要：

  Several analogs of 2,3-diaryl pyrroles were synthesized and evaluated as inhibitors of Eimeria tenella cGMP-dependent protein kinase and in. in vivo anticoccidial assays. A 4-fluorophenyl group enhances both in vitro and in Vivo activities. The most potent analogs are the-5-(N-methyl, N-ethyl, and N-methylazetidine methyl) piperidyl derivatives 12, 23, and 34. These compounds have a broad spectrum of activity. Based on the in vivo efficacy and cost of synthesis, the N-ethyl analog 23 was chosen as a novel anticoccidial agent for a field trial. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.060

文献信息

• MEDICINAL COMPOSITIONS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1402900A1

  公开（公告）日：2004-03-31

  The present invention relates to an agent for the prophylaxis or treatment of pain, an agent for suppressing activation of osteoclast, and an inhibitor of osteoclast formation, which contains a p38 MAP kinase inhibitor and/or a TNF-α production inhibitor.

  本发明涉及一种用于预防或治疗疼痛的药剂，一种用于抑制破骨细胞活化的药剂，以及一种包含p38 MAP激酶抑制剂和/或TNF-α产生抑制剂的破骨细胞形成抑制剂。
• CONCOMITANT DRUGS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1354603A1

  公开（公告）日：2003-10-22

  The present invention relates to a pharmaceutical agent containing one or more kinds of a p38 MAP kinase inhibitor and/or a TNF-α production inhibitor and one or more kinds of drugs selected from the group consisting of (1) a non-steroidal antiinflammatory drug, (2) a disease-modifying anti-rheumatic drug, (3) an anti-cytokine drug, (4) an immunomodulator, (5) a steroid and (6) a c-Jun N-terminal kinase inhibitor in combination. This combination agent is useful as a prophylactic or therapeutic agent of the diseases such as rheumatism, arthritis and the like, and other diseases.

  本发明涉及一种含有一种或多种p38 MAP激酶抑制剂和/或TNF-α产生抑制剂以及从（1）非甾体抗炎药、（2）疾病修饰性抗风湿药、（3）抗细胞因子药物、（4）免疫调节剂、（5）类固醇和（6）c-Jun N末端激酶抑制剂中选择的一种或多种药物的药物制剂。这种组合药剂可用作预防或治疗风湿病、关节炎等疾病以及其他疾病的药物。
• Process for making substituted pyrazoles
  申请人：G.D. Searle & Company

  公开号：US06342608B1

  公开（公告）日：2002-01-29

  This invention relates to a novel process of preparing selected 5-substituted pyrazoles useful as p38 kinase and COX-2 inhibitors.

  这项发明涉及一种新颖的工艺，用于制备作为p38激酶和COX-2抑制剂有用的选定的5-取代吡唑。
• Medicinal compositions
  申请人：Ohkawa Shigenori

  公开号：US20050080113A1

  公开（公告）日：2005-04-14

  The present invention relates to an agent for the prophylaxis or treatment of pain, an agent for suppressing activation of osteoclast, and an inhibitor of osteoclast formation, which contains a p38 MAP kinase inhibitor and/or a TNF-α production inhibitor.

  本发明涉及一种用于预防或治疗疼痛的药剂，一种用于抑制成骨细胞活化的药剂，以及一种抑制成骨细胞形成的抑制剂，其中包含p38 MAP激酶抑制剂和/或TNF-α生产抑制剂。
• Concomitant drugs
  申请人：——

  公开号：US20040097555A1

  公开（公告）日：2004-05-20

  The present invention relates to a pharmaceutical agent containing one or more kinds of a p38 MAP kinase inhibitor and/or a TNF-&agr; production inhibitor and one or more kinds of drugs selected from the group consisting of (1) a non-steroidal antiinflammatory drug, (2) a disease-modifying anti-rheumatic drug, (3) an anti-cytokine drug, (4) an immunomodulator, (5) a steroid and (6) a c-Jun N-terminal kinase inhibitor in combination. This combination agent is useful as a prophylactic or therapeutic agent of the diseases such as rheumatism, arthritis and the like, and other diseases.

  本发明涉及一种药剂，包含一种或多种p38 MAP激酶抑制剂和/或TNF-α产生抑制剂，以及从以下组中选择的一种或多种药物：（1）非甾体类抗炎药，（2）疾病修饰性抗风湿药，（3）抗细胞因子药物，（4）免疫调节剂，（5）类固醇和（6）c-Jun N末端激酶抑制剂。这种组合药剂可用作风湿病、关节炎等疾病的预防或治疗药剂，以及其他疾病的药剂。