[(1R,2R,3S,5S,8S,10S)-2,10-diacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-naphthalen-2-yloxyacetate | 1245834-39-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [(1R,2R,3S,5S,8S,10S)-2,10-diacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-naphthalen-2-yloxyacetate
• CAS: 1245834-39-2
• 化学式: C₃₆H₄₄O₇
• 分子量: 588.741
• InChiKey: QPZGJRSJFDMLSF-WLXZXJHUSA-N

物化性质

• 沸点：
  652.9±55.0 °C(predicted)
• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5α-hydroxy-2α,10β-diacetoxy-4(20),11-taxadiene 、 2-萘氧乙酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 生成 [(1R,2R,3S,5S,8S,10S)-2,10-diacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-naphthalen-2-yloxyacetate
  参考文献：
  名称：

  Synthesis and structure–activity relationships of sinenxan A derivatives as multidrug resistance reversal agents

  摘要：

  Two types of sinenxan A derivatives with different side chains at C-5 were synthesized and evaluated for their in vitro multidrug resistant reversal activities. Several derivatives exhibited better activities than the positive control verapamil. The structure-activity relationships of these derivatives suggested that a carbonyl group at C-13 and the length of side chain at C-5 are important for the activity. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.099

文献信息

• Synthesis and structure–activity relationships of sinenxan A derivatives as multidrug resistance reversal agents
  作者：Meng Huang、Xin Zhao、Meng Zhang、Jun Gu、Xiaoguang Chen、Dali Yin

  DOI：10.1016/j.bmcl.2010.07.099

  日期：2010.9

  Two types of sinenxan A derivatives with different side chains at C-5 were synthesized and evaluated for their in vitro multidrug resistant reversal activities. Several derivatives exhibited better activities than the positive control verapamil. The structure-activity relationships of these derivatives suggested that a carbonyl group at C-13 and the length of side chain at C-5 are important for the activity. (c) 2010 Elsevier Ltd. All rights reserved.