4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylamino)ethyl)benzamide | 1089664-83-4

• 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: 4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylamino)ethyl)benzamide
• 英文别名: 4-fluoro-N-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]benzamide
• CAS: 1089664-83-4
• 化学式: C₁₉H₁₆FN₃O₂S
• 分子量: 369.419
• InChiKey: SYBPXZBWAAAJAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  99.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  phenyl(thiazol-2-yl)methanamine 、 (4-氟苯甲酰基氨基)-乙酸 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylamino)ethyl)benzamide
  参考文献：
  名称：

  Design, synthesis and structure–activity relationship of simple bis-amides as potent inhibitors of GlyT1

  摘要：

  Several novel classes of potent and small amide-type inhibitors of glycine transport (GlyT1) were developed through sequential simplification of a benzodiazepinone-lead structure identified from a high-throughput screening. The most potent compounds of these structurally simple classes show low nanomolar inhibition at the GlyT1 target. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.005

文献信息

• Design, synthesis and structure–activity relationship of simple bis-amides as potent inhibitors of GlyT1
  作者：Synèse Jolidon、Daniela Alberati、Adam Dowle、Holger Fischer、Dominik Hainzl、Robert Narquizian、Roger Norcross、Emmanuel Pinard

  DOI：10.1016/j.bmcl.2008.09.005

  日期：2008.10

  Several novel classes of potent and small amide-type inhibitors of glycine transport (GlyT1) were developed through sequential simplification of a benzodiazepinone-lead structure identified from a high-throughput screening. The most potent compounds of these structurally simple classes show low nanomolar inhibition at the GlyT1 target. (c) 2008 Elsevier Ltd. All rights reserved.