(3-Amino-6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone | 1174047-15-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-Amino-6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
• 英文别名: [3-amino-6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
• CAS: 1174047-15-4
• 化学式: C₁₆H₁₀F₄N₂O₂
• 分子量: 338.261
• InChiKey: LPLSBZHUNYOLMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 (3-Amino-6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
  参考文献：
  名称：

  Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype

  摘要：

  This Letter describes the discovery and SAR of three novel series of mGluR5 non-competitive antagonists/negative allosteric modulators (NAMs) not based on manipulation of an MPEP/MTEP chemotype. This work demonstrates fundamentally new mGluR5 NAM chemotypes with submicromolar potencies, and the first example of a mode of pharmacology 'switch' to provide PAMs with a non-MPEP scaffold. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.110

文献信息

• Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype
  作者：Alice L. Rodriguez、Richard Williams、Ya Zhou、Stacey R. Lindsley、Uyen Le、Mark D. Grier、C. David Weaver、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2009.04.110

  日期：2009.6

  This Letter describes the discovery and SAR of three novel series of mGluR5 non-competitive antagonists/negative allosteric modulators (NAMs) not based on manipulation of an MPEP/MTEP chemotype. This work demonstrates fundamentally new mGluR5 NAM chemotypes with submicromolar potencies, and the first example of a mode of pharmacology 'switch' to provide PAMs with a non-MPEP scaffold. (C) 2009 Elsevier Ltd. All rights reserved.