3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide | 389069-33-4

• 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: 3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide
• 英文别名: 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide
• CAS: 389069-33-4
• 化学式: C₂₁H₁₄N₂O₄
• 分子量: 358.353
• InChiKey: IDEZYDVMEZINTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(1,3-二氧代-1,3-二氢异吲哚-2-基)-苯甲酸 、 2-氨基苯酚 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide
  参考文献：
  名称：

  Synthesis and SAR of novel, non-MPEP chemotype mGluR5 NAMs identified by functional HTS

  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 identified by a functional HTS approach. This work demonstrates fundamentally new mGluR5 NAM chemotypes with submicromolar potencies, and further examples 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.2009.10.059

文献信息

• Synthesis and SAR of novel, non-MPEP chemotype mGluR5 NAMs identified by functional HTS
  作者：Ya Zhou、Alice L. Rodriguez、Richard Williams、C. David Weaver、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2009.10.059

  日期：2009.12

  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 identified by a functional HTS approach. This work demonstrates fundamentally new mGluR5 NAM chemotypes with submicromolar potencies, and further examples of a mode of pharmacology 'switch' to provide PAMs with a non-MPEP scaffold. (C) 2009 Elsevier Ltd. All rights reserved.