2-Cycloheptyl-2-(2,5-dihydroxy-phenylsulfanyl)-1-(4-triisopropylsilanyloxy-phenyl)-ethanone | 719311-33-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Cycloheptyl-2-(2,5-dihydroxy-phenylsulfanyl)-1-(4-triisopropylsilanyloxy-phenyl)-ethanone
• CAS: 719311-33-8
• 化学式: C₃₀H₄₄O₄SSi
• 分子量: 528.828
• InChiKey: VRIAHDKJXDWQCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.97
• 重原子数：
  36.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  66.76
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-Cycloheptyl-2-(2,5-dihydroxy-phenylsulfanyl)-1-(4-triisopropylsilanyloxy-phenyl)-ethanone 在 三乙基硅烷 、 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [4-((2S,3R)-3-Cycloheptyl-6-methoxymethoxy-2,3-dihydro-benzo[1,4]oxathiin-2-yl)-phenoxy]-triisopropyl-silane
  参考文献：
  名称：

  Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs

  摘要：

  A series of 3-alkyl, 3-cycloalkyl, and 3-heteroaryl dihydrobenzoxathim analogs 1 were prepared and evaluated for estrogen/anti-estrogen activity in both in vitro and in vivo models. In general, the compounds were found to exhibit a high degree of selectivity for ERalpha over ERbeta, but were less potent than the original lead compound la in the inhibition of estradiol-driven uterine proliferation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.084
• 作为产物：
  描述：

  三异丙基氯硅烷 在 phenyltrimethylammonium tribromide 、 sodium hydride 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-Cycloheptyl-2-(2,5-dihydroxy-phenylsulfanyl)-1-(4-triisopropylsilanyloxy-phenyl)-ethanone
  参考文献：
  名称：

  Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs

  摘要：

  A series of 3-alkyl, 3-cycloalkyl, and 3-heteroaryl dihydrobenzoxathim analogs 1 were prepared and evaluated for estrogen/anti-estrogen activity in both in vitro and in vivo models. In general, the compounds were found to exhibit a high degree of selectivity for ERalpha over ERbeta, but were less potent than the original lead compound la in the inhibition of estradiol-driven uterine proliferation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.084