| 1449216-15-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1449216-15-2
• 化学式: C₃₉H₆₀O₄S₂Si
• 分子量: 685.121
• InChiKey: FPKOHQKPAGTICY-WIHCDAFUSA-N

物化性质

• 沸点：
  695.0±55.0 °C(predicted)
• 密度：
  1.09±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.95
• 重原子数：
  46.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  47.92
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 potassium permanganate 、 sodium periodate 、 四丙基高钌酸铵 、 mercury (II) perchlorate trihydrate 、 2,4,6-三氯苯甲酰氯 、 氟化氢吡啶 、 溶剂黄146 、 N-甲基吗啉氧化物 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 甲苯 、 乙腈 、 叔丁醇 为溶剂， 反应 26.25h， 生成
  参考文献：
  名称：

  Synthesis of Antineoplastic Analogs of Aplysiatoxin with Various Side Chain Structures

  摘要：

  We have recently developed a simplified analog of aplysiatoxin with anti-proliferative activity (1). To investigate the structure activity relationship of its side chain, an alternative synthetic route of 1 has been established. Via the key intermediate 6, p-hydroxyl or o,m-dihydroxyl derivatives (4 and 5) as well as 1 were synthesized and their biological activities were evaluated. Although the position of the hydroxyl group in the benzene ring did not change the affinity for protein kinase C isozymes or the ability to induce the Epstein-Barr virus early antigen, anti-proliferative activities against several human cancer cell lines of 1 were superior to those of 4.

  DOI：

  10.3987/com-12-s(n)8
• 作为产物：
  描述：

  在 titanium(IV) isopropylate 、 四丙基高钌酸铵 、 camphor-10-sulfonic acid 、 S-1,1'-联-2-萘酚 、 四氯化钛 、 N-甲基吗啉氧化物 、 silver(l) oxide 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 23.5h， 生成
  参考文献：
  名称：

  Synthesis of Antineoplastic Analogs of Aplysiatoxin with Various Side Chain Structures

  摘要：

  We have recently developed a simplified analog of aplysiatoxin with anti-proliferative activity (1). To investigate the structure activity relationship of its side chain, an alternative synthetic route of 1 has been established. Via the key intermediate 6, p-hydroxyl or o,m-dihydroxyl derivatives (4 and 5) as well as 1 were synthesized and their biological activities were evaluated. Although the position of the hydroxyl group in the benzene ring did not change the affinity for protein kinase C isozymes or the ability to induce the Epstein-Barr virus early antigen, anti-proliferative activities against several human cancer cell lines of 1 were superior to those of 4.

  DOI：

  10.3987/com-12-s(n)8