3-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide | 1190984-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
• 英文别名: 3-fluoro-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
• CAS: 1190984-40-7
• 化学式: C₁₆H₁₂FN₃OS
• 分子量: 313.355
• InChiKey: OWXDRYKHBJULMN-UHFFFAOYSA-N

物化性质

• 沸点：
  477.9±55.0 °C(predicted)
• 密度：
  1.349±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  间氟苯甲酰氯 、 2-methylamino-4-(4-pyridyl)thiazole 在 三乙胺 作用下， 以 甲苯 为溶剂， 生成 3-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
  参考文献：
  名称：

  Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist

  摘要：

  We identified 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide 27 as a potent mGluR1 antagonist. The compound possessed excellent subtype selectivity and good PK profile in rats. It also demonstrated relatively potent antipsychotic-like effects in several animal models. Suitable for development as a PET tracer, compound 27 would have great potential for elucidation of mGluR1 functions in human. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.097

文献信息

• Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist
  作者：Atsushi Satoh、Yasushi Nagatomi、Yukari Hirata、Satoru Ito、Gentaroh Suzuki、Toshifumi Kimura、Shunsuke Maehara、Hirohiko Hikichi、Akio Satow、Mikiko Hata、Hisashi Ohta、Hiroshi Kawamoto

  DOI：10.1016/j.bmcl.2009.07.097

  日期：2009.9

  We identified 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide 27 as a potent mGluR1 antagonist. The compound possessed excellent subtype selectivity and good PK profile in rats. It also demonstrated relatively potent antipsychotic-like effects in several animal models. Suitable for development as a PET tracer, compound 27 would have great potential for elucidation of mGluR1 functions in human. (C) 2009 Elsevier Ltd. All rights reserved.