1-(4-氟苯基)-2-(2-甲基吡啶-4-基)乙酮 | 216076-13-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-氟苯基)-2-(2-甲基吡啶-4-基)乙酮
• 英文名称: 2-(2-Methyl-4-pyridyl)-1-(4-fluorophenyl)ethanone
• 英文别名: 1-(4-fluorophenyl)-2-(2-methylpyridin-4-yl)ethanone
• CAS: 216076-13-0
• 化学式: C₁₄H₁₂FNO
• 分子量: 229.254
• InChiKey: GCNXXEGSKGIEEB-UHFFFAOYSA-N

物化性质

• 沸点：
  365.5±32.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-氟苯基)-2-(2-甲基吡啶-4-基)乙酮 在 乙酸铵 、 sodium hydride 、 溶剂黄146 、 二甲基亚砜 作用下， 生成 4-[5-(4-Fluoro-phenyl)-4-(2-methyl-pyridin-4-yl)-1H-pyrrol-2-yl]-piperidine-1-carboxylic acid benzyl ester
  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：

  2,4-二甲基吡啶 、 对氟苯甲酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 1-(4-氟苯基)-2-(2-甲基吡啶-4-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

• Substituted 1,3-thiazole compounds, their production and use
  申请人：——

  公开号：US20040053973A1

  公开（公告）日：2004-03-18

  (1) A 1,3-thiazole compound of which the 5-position is substituted with a 4-pyridyl group having a substituent including no aromatic group or (2) a 1,3-thiazole compound of which the 5-position is substituted with a pyridyl group having at the position adjacent to a nitrogen atom of the pyridyl group a substituent including no aromatic group has an excellent p38 MAP kinase inhibitory activity.

  (1) 一种1,3-噻唑化合物，其5位被取代为含有一个取代基的4-吡啶基团，该取代基不包括芳香基，或者(2) 一种1,3-噻唑化合物，其5位被取代为一个吡啶基团，该吡啶基团的氮原子邻近位置有一个取代基，该取代基不包括芳香基，具有出色的p38 MAP激酶抑制活性。
• 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。
• 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。
• [EN] SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE<br/>[FR] COMPOSES DE 1,3-THIAZOLE SUBSTITUES, PRODUCTION ET UTILISATION DESDITS COMPOSES
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2001074811A2

  公开（公告）日：2001-10-11

  (1) A 1,3-thiazole compound of which the 5-position is substituted with a 4-pyridyl group having a substituent including no aromatic group or (2) a 1,3-thiazole compound of which the 5-position is substituted with a pyridyl group having at the position adjacent to a nitrogen atom of the pyridyl group a substituent including no aromatic group has an excellent p38 MAP kinase inhibitory activity.

  (1) 一种1,3-噻唑化合物，其中5位被一个带有不包括芳香族的取代基的4-吡啶基取代，或者(2)一种1,3-噻唑化合物，其中5位被一个在吡啶基的氮原子邻近位置带有不包括芳香族的取代基的吡啶基取代。这类化合物展现出优异的p38丝裂原活化蛋白激酶抑制活性。
• Substituted Imidazoles as Glucagon Receptor Antagonists
  作者：Linda L. Chang、Kelly L. Sidler、Margaret A. Cascieri、Stephen de Laszlo、Greg Koch、Bing Li、Malcolm MacCoss、Nathan Mantlo、Stephen O'Keefe、Margaret Pang、Anna Rolando、William K. Hagmann

  DOI：10.1016/s0960-894x(01)00498-x

  日期：2001.9

  A modestly active, nonselective triarylimidazole lead was optimized for binding affinity with the human glucagon receptor. This led to the identification of a 2- and/or 4-alkyl or alkyloxy substituent on the imidazole C4-aryl group as a structural determinant for significant enhancement in binding with the glucagon receptor (e.g., 41, IC50 = 0.053 muM) and selectivity (> 1000x) over p38 MAP kinase in this class of compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.