| 219740-25-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 219740-25-7
• 化学式: C₆₄H₈₅NO₁₁SSi₂
• 分子量: 1132.62
• InChiKey: COWUUNBDOUYELQ-SRAWSDFLSA-N

物化性质

• 沸点：
  998.955±65.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.185±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.55
• 重原子数：
  79.0
• 可旋转键数：
  21.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  155.92
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  在 氟化氢吡啶 作用下， 以31%的产率得到Benzoic acid (1S,2S,4S,9R,10R,13S)-4-acetoxy-13-((2R,3S)-3-benzoylamino-2-hydroxy-3-phenyl-propionyloxy)-1-hydroxy-9-(2-hydroxy-ethoxy)-4,12,15,15-tetramethyl-10-phenylsulfanyl-tricyclo[9.3.1.0^3,8]pentadeca-3(8),11-dien-2-yl ester
  参考文献：
  名称：

  Synthesis and evaluation of artificial taxoids with antitumor and multi-drug resistance reversing activities

  摘要：

  Artificial taxoids were synthesized and subjected to evaluation of their ability of multi-drug resistance reversing and antitumor activities. While the taxoid 4 could not increase cellular accumulation of vincristine in multi-drug resistant tumor cells, the C4-hydroxy analog 15 showed significant effect. However, these compounds showed weak activities on growth inhibition of cancer cells. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00540-x
• 作为产物：
  描述：

  在 sodium hexamethyldisilazane 、 三乙胺 作用下， 生成
  参考文献：
  名称：

  Synthesis and evaluation of artificial taxoids with antitumor and multi-drug resistance reversing activities

  摘要：

  Artificial taxoids were synthesized and subjected to evaluation of their ability of multi-drug resistance reversing and antitumor activities. While the taxoid 4 could not increase cellular accumulation of vincristine in multi-drug resistant tumor cells, the C4-hydroxy analog 15 showed significant effect. However, these compounds showed weak activities on growth inhibition of cancer cells. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00540-x