3-[2-(4'-methylbiphenyl-4-yloxy)acetylamino]benzoic acid methyl ester | 303032-14-6

• 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-[2-(4'-methylbiphenyl-4-yloxy)acetylamino]benzoic acid methyl ester
• 英文别名: Methyl 3-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
• CAS: 303032-14-6
• 化学式: C₂₃H₂₁NO₄
• 分子量: 375.424
• InChiKey: CNIDSPPXBHGBDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[2-(4'-methylbiphenyl-4-yloxy)acetylamino]benzoic acid methyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以30.3%的产率得到3-[[2-[4-(4-甲基苯基)苯氧基]乙酰基]氨基]苯甲酸
  参考文献：
  名称：

  (Aryloxyacetylamino)benzoic Acid Analogues:  A New Class of Hypoxia-Inducible Factor-1 Inhibitors

  摘要：

  Structural modification of a compound discovered during screening using an HRE-dependent reporter assay has revealed a novel class of HIF-1 inhibitors, which potently inhibit the HIF-1 alpha protein accumulation and its target gene expression under hypoxic conditions in human hepatocellular carcinoma Hep3B cells.

  DOI：

  10.1021/jm0610292
• 作为产物：
  描述：

  对溴苯氧乙酸 在 四(三苯基膦)钯 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-[2-(4'-methylbiphenyl-4-yloxy)acetylamino]benzoic acid methyl ester
  参考文献：
  名称：

  (Aryloxyacetylamino)benzoic Acid Analogues:  A New Class of Hypoxia-Inducible Factor-1 Inhibitors

  摘要：

  Structural modification of a compound discovered during screening using an HRE-dependent reporter assay has revealed a novel class of HIF-1 inhibitors, which potently inhibit the HIF-1 alpha protein accumulation and its target gene expression under hypoxic conditions in human hepatocellular carcinoma Hep3B cells.

  DOI：

  10.1021/jm0610292

文献信息

• (Aryloxyacetylamino)benzoic Acid Analogues:  A New Class of Hypoxia-Inducible Factor-1 Inhibitors
  作者：Kyeong Lee、Jeong Hyung Lee、Shanthaveerappa K. Boovanahalli、Yinglan Jin、Mijeoung Lee、Xuejun Jin、Jin Hwan Kim、Young-Soo Hong、Jung Joon Lee

  DOI：10.1021/jm0610292

  日期：2007.4.1

  Structural modification of a compound discovered during screening using an HRE-dependent reporter assay has revealed a novel class of HIF-1 inhibitors, which potently inhibit the HIF-1 alpha protein accumulation and its target gene expression under hypoxic conditions in human hepatocellular carcinoma Hep3B cells.