(1R,4aR,7S,8aS,10aS)-7-(2-Acetoxy-ethyl)-1,4a,7-trimethyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid 2-trimethylsilanyl-ethyl ester | 233750-22-6

• 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,4aR,7S,8aS,10aS)-7-(2-Acetoxy-ethyl)-1,4a,7-trimethyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid 2-trimethylsilanyl-ethyl ester
• CAS: 233750-22-6
• 化学式: C₂₇H₄₆O₄Si
• 分子量: 462.745
• InChiKey: PMQJRYMZOQUSDE-JIFKGWMLSA-N

物化性质

• 沸点：
  497.293±25.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.025±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

反应信息

• 作为反应物：
  描述：

  (1R,4aR,7S,8aS,10aS)-7-(2-Acetoxy-ethyl)-1,4a,7-trimethyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid 2-trimethylsilanyl-ethyl ester 在 四丁基氟化铵 作用下， 以 二甲基亚砜 为溶剂， 生成 (1R,4aR,7S,8aS,10aS)-7-(2-Acetoxy-ethyl)-1,4a,7-trimethyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid
  参考文献：
  名称：

  Pimarane cyclooxygenase 2 (COX-2) inhibitor and its structure–activity relationship

  摘要：

  The structure-activity relationship and molecular modelings of a novel pimarane COX-2 inhibitor are reported. Particularly, a series of linker extended analogues designed on the basis of these studies exhibited significantly enhanced COX-2 inhibitory activities and selectivities. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00004-x
• 作为产物：
  描述：

  (1R,4aR,7S,8aS,10aS)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid 2-trimethylsilanyl-ethyl ester 在 dimethyl sulfide borane 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 生成 (1R,4aR,7S,8aS,10aS)-7-(2-Acetoxy-ethyl)-1,4a,7-trimethyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid 2-trimethylsilanyl-ethyl ester
  参考文献：
  名称：

  Pimarane cyclooxygenase 2 (COX-2) inhibitor and its structure–activity relationship

  摘要：

  The structure-activity relationship and molecular modelings of a novel pimarane COX-2 inhibitor are reported. Particularly, a series of linker extended analogues designed on the basis of these studies exhibited significantly enhanced COX-2 inhibitory activities and selectivities. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00004-x