1-(3,4-Difluoro-phenyl)-2-pyridin-4-yl-ethanone | 216076-14-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,4-Difluoro-phenyl)-2-pyridin-4-yl-ethanone
• 英文别名: 1-(3,4-Difluorophenyl)-2-pyridin-4-ylethanone
• CAS: 216076-14-1
• 化学式: C₁₃H₉F₂NO
• 分子量: 233.217
• InChiKey: RIZFOXBTYFRJKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3,4-Difluoro-phenyl)-2-pyridin-4-yl-ethanone 在 乙酸铵 、 sodium hydride 、 溶剂黄146 、 二甲基亚砜 作用下， 生成 4-[5-(3,4-Difluoro-phenyl)-4-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：

  3,4-二氟苯甲酸乙酯 、 4-甲基吡啶 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 1-(3,4-Difluoro-phenyl)-2-pyridin-4-yl-ethanone
  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

• Pyrazole compounds
  申请人：Hagihara Masahiko

  公开号：US20060063934A1

  公开（公告）日：2006-03-23

  The present invention relates to pyrazole compounds represented by the formula (I): wherein R 1 represents phenyl which may be substituted, R 2 represents H, halogen, alkyl, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl or substituted amino, Q represents CH or N, R 3 represents H, alkyl or amino, R 4 represents the formula (II) to (V): wherein R 7 represents H or alkyl, R 8 represents H, alkyl or substituted amino, R 9 represents H or alkyl, R 12 represents H, alkyl, halogeno alkyl or substituted amino, or pharmaceutically acceptable salts thereof, and a medical composition containing the same as effective ingredient.

  本发明涉及由式（I）表示的吡唑化合物，其中R1表示可能被取代的苯基，R2表示H、卤素、烷基、烷氧基、烷硫基、烷基亚砜基、烷基磺酰基或取代的氨基，Q表示CH或N，R3表示H、烷基或氨基，R4表示式（II）至（V）：其中R7表示H或烷基，R8表示H、烷基或取代的氨基，R9表示H或烷基，R12表示H、烷基、卤代烷基或取代的氨基，或其药学上可接受的盐，以及含有其作为有效成分的医药组合物。
• PYRAZOLE COMPOUNDS
  申请人：Ube Industries, Ltd.

  公开号：EP1553096B1

  公开（公告）日：2012-10-31
• US7294625B2
  申请人：——

  公开号：US7294625B2

  公开（公告）日：2007-11-13
• Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents
  作者：Tesfaye Biftu、Dennis Feng、Mitree Ponpipom、Narindar Girotra、Gui-Bai Liang、Xiaoxia Qian、Robert Bugianesi、Joseph Simeone、Linda Chang、Anne Gurnett、Paul Liberator、Paula Dulski、Penny Sue Leavitt、Tami Crumley、Andrew Misura、Terence Murphy、Sandra Rattray、Samantha Samaras、Tamas Tamas、John Mathew、Christine Brown、Don Thompson、Dennis Schmatz、Michael Fisher、Matthew Wyvratt

  DOI：10.1016/j.bmcl.2005.04.060

  日期：2005.7

  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.