acetic acid 4-[5-(4-nitro-phenyl)-4,5-dihydro-isoxazol-3-yl]-2-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl ester | 1041437-84-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: acetic acid 4-[5-(4-nitro-phenyl)-4,5-dihydro-isoxazol-3-yl]-2-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl ester
• CAS: 1041437-84-6
• 化学式: C₂₇H₂₈N₂O₅
• 分子量: 460.53
• InChiKey: ZVUBIGDSBWITCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  34.0
• 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：
  91.03
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  acetic acid 4-[5-(4-nitro-phenyl)-4,5-dihydro-isoxazol-3-yl]-2-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl ester 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 以54%的产率得到acetic acid 4-[5-(4-nitro-phenyl)-isoxazol-3-yl]-2-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl 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
• 作为产物：
  描述：

  4-硝基苯乙烯 、 acetic acid 4-(hydroxyimino-methyl)-2-tricyclo[3.3.1.1(0,0)]dec-1-yl phenyl ester 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42%的产率得到acetic acid 4-[5-(4-nitro-phenyl)-4,5-dihydro-isoxazol-3-yl]-2-tricyclo[3.3.1.1(0,0)]dec-1-yl-phenyl 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