3-[1,3]Dioxolan-2-yl-2-((S)-hydroxy-{(S)-1-hydroxy-4,6,6-trimethyl-5-[1-phenylsulfanyl-meth-(E)-ylidene]-3-triisopropylsilanyloxy-cyclohex-3-enyl}-methyl)-cyclohex-2-enone | 219740-36-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-[1,3]Dioxolan-2-yl-2-((S)-hydroxy-{(S)-1-hydroxy-4,6,6-trimethyl-5-[1-phenylsulfanyl-meth-(E)-ylidene]-3-triisopropylsilanyloxy-cyclohex-3-enyl}-methyl)-cyclohex-2-enone
• CAS: 219740-36-0
• 化学式: C₃₅H₅₂O₆SSi
• 分子量: 628.946
• InChiKey: DQVNQKDVARDMNG-HJIQQCSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.07
• 重原子数：
  43.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  85.22
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-[1,3]Dioxolan-2-yl-2-((S)-hydroxy-{(S)-1-hydroxy-4,6,6-trimethyl-5-[1-phenylsulfanyl-meth-(E)-ylidene]-3-triisopropylsilanyloxy-cyclohex-3-enyl}-methyl)-cyclohex-2-enone 在 potassium fluoride 、 甲基硼酸 、 氢氟酸 、 四氯化钛 作用下， 生成 (1S,2S,9R,10R)-1,2-Dihydroxy-9-(2-hydroxy-ethoxy)-12,15,15-trimethyl-10-phenylsulfanyl-tricyclo[9.3.1.0^3,8]pentadeca-3(8),11-diene-4,13-dione
  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：

  (S)-1-[(S)-(6-[1,3]Dioxolan-2-yl-2-triethylsilanyloxy-cyclohexa-1,5-dienyl)-hydroxy-methyl]-4,6,6-trimethyl-5-[1-phenylsulfanyl-meth-(E)-ylidene]-3-triisopropylsilanyloxy-cyclohex-3-enol 在 水 、 三乙胺 作用下， 生成 3-[1,3]Dioxolan-2-yl-2-((S)-hydroxy-{(S)-1-hydroxy-4,6,6-trimethyl-5-[1-phenylsulfanyl-meth-(E)-ylidene]-3-triisopropylsilanyloxy-cyclohex-3-enyl}-methyl)-cyclohex-2-enone
  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