2-pyridin-4-yl-1-(3-trifluoromethyl-phenyl)-ethanone | 188345-22-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-pyridin-4-yl-1-(3-trifluoromethyl-phenyl)-ethanone
• 英文别名: 2-(4-pyridyl)-1-[3-(trifluoromethyl)phenyl]ethanone；2-(4-Pyridyl)-1-(3-trifluoromethylphenyl)ethanone；2-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]ethanone
• CAS: 188345-22-4
• 化学式: C₁₄H₁₀F₃NO
• mdl: MFCD16659215
• 分子量: 265.235
• InChiKey: OXXFUAZTRQYJTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-pyridin-4-yl-1-(3-trifluoromethyl-phenyl)-ethanone 、 1-叔丁氧羰基-4-哌啶甲酸琥珀酰亚胺酯 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase

  摘要：

  Starting from an initial HTS screening lead, a novel series of C(5)-substituted diaryl pyrazoles were developed that showed potent inhibition of p38 alpha kinase. Key to this outcome was the switch from a pyridyl to pyrimidine at the C(4)-position leading to analogs that were potent in human whole blood based cell assay as well as in a number of animal efficacy models for rheumatoid arthritis. Ultimately, we identified a clinical candidate from this substrate; SD-0006. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.047
• 作为产物：
  描述：

  N-甲氧基-N-甲基-3-(三氟甲基)-苯羧酰胺 在 正丁基锂 、 二异丙胺 、 水 作用下， 以 四氢呋喃 、 正己烷 、 乙酸乙酯 为溶剂， 反应 1.83h， 以76%的产率得到2-pyridin-4-yl-1-(3-trifluoromethyl-phenyl)-ethanone
  参考文献：
  名称：

  [EN] CONDENSED PYRIDINES AS KINASE INHIBITORS
  [FR] COMPOSES HETEROCYCLIQUES

  摘要：

  公开号：

  WO2006013095A3

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。
• [EN] PYRAZOLOPYRIDINE DERIVATES<br/>[FR] DERIVES DE PYRAZOLOPYRIDINE
  申请人：URIACH Y COMPANIA S A J

  公开号：WO2004076450A1

  公开（公告）日：2004-09-10

  New compounds of formula (I) and the salts, solvates and prodrugs thereof, wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

  公式（I）的新化合物及其盐、溶剂合物和前药，其中各种取代基的含义如描述中所披露的。这些化合物可用作p38激酶抑制剂。
• Compounds having cytokine inhibitory activity
  申请人：Merck & Co., Inc.

  公开号：US06350744B1

  公开（公告）日：2002-02-26

  There are disclosed compounds of formula (I) and pharmaceutically acceptable salts thereof which exhibit utility for the treatment of cytokine mediated diseases such as arthritis.

  公开了化合物的结构式（I）及其药学上可接受的盐，其对治疗细胞因子介导的疾病如关节炎具有实用性。
• Pyrazolopyridine derivates
  申请人：Almansa Rosales Carmen

  公开号：US20060167040A1

  公开（公告）日：2006-07-27

  New compounds of formula (I) and the salts, solvates and prodrugs thereof, wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

  新化合物的公式为（I），以及其盐，溶剂合物和前药，其中各种取代基的含义如描述所示。这些化合物可用作p38激酶抑制剂。