4-{4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-phenoxymethyl}-benzoic acid methyl ester | 468730-27-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 4-{4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-phenoxymethyl}-benzoic acid methyl ester
• 英文别名: Methyl 4-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenoxy]methyl]benzoate
• CAS: 468730-27-0
• 化学式: C₂₅H₂₁NO₅
• 分子量: 415.445
• InChiKey: LFFUIUXHRGAKGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-{4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-phenoxymethyl}-benzoic acid methyl ester 在 盐酸 、 溶剂黄146 作用下， 生成 4-{4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-phenoxymethyl}-benzoic acid
  参考文献：
  名称：

  Novel phthalimide derivatives, designed as leukotriene D4 receptor antagonists

  摘要：

  A series of phthalimide acid derivatives was synthesized and evaluated as leukotriene D-4 receptor antagonists. The tetrazolephthalimide LASSBio 552 (7) was shown to be able to inhibit the contractile activity induced by 100 nM of LTD4 in guinea-pig tracheal strips with an IC50 = 31.2 muM. In addition, LASSBio 552 (7) has been showed to present a better efficacy than zafirlukast (1) used as standard. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00203-2
• 作为产物：
  描述：

  对羟基苯乙胺 在 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 4-{4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-phenoxymethyl}-benzoic acid methyl ester
  参考文献：
  名称：

  Novel phthalimide derivatives, designed as leukotriene D4 receptor antagonists

  摘要：

  A series of phthalimide acid derivatives was synthesized and evaluated as leukotriene D-4 receptor antagonists. The tetrazolephthalimide LASSBio 552 (7) was shown to be able to inhibit the contractile activity induced by 100 nM of LTD4 in guinea-pig tracheal strips with an IC50 = 31.2 muM. In addition, LASSBio 552 (7) has been showed to present a better efficacy than zafirlukast (1) used as standard. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00203-2