4-[5-(4-acetoxy-3-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl)-4,5-dihydro-isoxazol-3-yl]-benzoic acid methyl ester | 1041437-88-0

• 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-[5-(4-acetoxy-3-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl)-4,5-dihydro-isoxazol-3-yl]-benzoic acid methyl ester
• CAS: 1041437-88-0
• 化学式: C₂₉H₃₁NO₅
• 分子量: 473.569
• InChiKey: OOWOTHKYVGKPEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  35.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  74.19
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-[5-(4-acetoxy-3-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl)-4,5-dihydro-isoxazol-3-yl]-benzoic acid methyl ester 在 lithium hydroxide 、 水 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以94%的产率得到4-[5-(4-hydroxy-3-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl)-4,5-dihydro-isoxazol-3-yl]-benzoic acid
  参考文献：
  名称：

  Novel Terphenyls and 3,5-Diaryl Isoxazole Derivatives Endowed with Growth Supporting and Antiapoptotic Properties

  摘要：

  A new study on terphenyl and diaryl-isoxazole and isoxazoline derivatives, maintaining a common 3-adamantyl-4-hydroxyphenyl moiety, has been conducted to find compounds with growth supporting and antiapoptotic properties. Unexpectedly, diphenyisoxazole derivatives bearing a nitro group replacing the carboxylic function have been found with the highest cell protective activity within the series, in complete and in serum-free conditions. Inhibition of apoptosis induced by daunorubicin has also been observed for the most active compound.

  DOI：

  10.1021/jm800388m
• 作为产物：
  描述：

  acetic acid 2-tricyclo[3.3.1.1(0,0)]dec-1-yl-4-vinyl-phenyl ester 、 (E)-4-((羟基亚氨基)甲基)苯甲酸甲酯 在 吡啶 、 N-氯代丁二酰亚胺 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.33h， 以44%的产率得到4-[5-(4-acetoxy-3-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl)-4,5-dihydro-isoxazol-3-yl]-benzoic acid methyl ester
  参考文献：
  名称：

  Novel Terphenyls and 3,5-Diaryl Isoxazole Derivatives Endowed with Growth Supporting and Antiapoptotic Properties

  摘要：

  A new study on terphenyl and diaryl-isoxazole and isoxazoline derivatives, maintaining a common 3-adamantyl-4-hydroxyphenyl moiety, has been conducted to find compounds with growth supporting and antiapoptotic properties. Unexpectedly, diphenyisoxazole derivatives bearing a nitro group replacing the carboxylic function have been found with the highest cell protective activity within the series, in complete and in serum-free conditions. Inhibition of apoptosis induced by daunorubicin has also been observed for the most active compound.

  DOI：

  10.1021/jm800388m