2-cyclohexyl-1-(4-triisopropylsilyloxy-phenyl)-ethanone | 412051-28-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclohexyl-1-(4-triisopropylsilyloxy-phenyl)-ethanone
• 英文别名: 2-Cyclohexyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
• CAS: 412051-28-6
• 化学式: C₂₃H₃₈O₂Si
• 分子量: 374.639
• InChiKey: MKVXMOMMVIXHAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.39
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-cyclohexyl-1-(4-triisopropylsilyloxy-phenyl)-ethanone 在 三乙基硅烷 、 四丁基氟化铵 、 phenyltrimethylammonium tribromide 、 溶剂黄146 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[(2R,3S)-3-cyclohexyl-6-phenylmethoxy-2,3-dihydro-1,4-benzoxathiin-2-yl]phenol
  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：

  2-环己基-1-(4-甲氧基苯基)乙酮 在 吡啶盐酸盐 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-cyclohexyl-1-(4-triisopropylsilyloxy-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

文献信息

• Estrogen receptor modulators
  申请人：——

  公开号：US20030225132A1

  公开（公告）日：2003-12-04

  The present invention relates to compounds and derivatives thereof, their synthesis, and their use as estrogen receptor modulators. The compounds of the instant invention are ligands for estrogen receptors and as such may be useful for treatment or prevention of a variety of conditions related to estrogen functioning including: bone loss, bone fractures, osteoporosis, cartilage degeneration, endometriosis, uterine fibroid disease, hot flashes, increased levels of LDL cholesterol, cardiovascular disease, impairment of cognitive functioning, cerebral degenerative disorders, restenosis, gynecomastia, vascular smooth muscle cell proliferation, obesity, incontinence, and cancer, in particular of the breast, uterus and prostate.

  本发明涉及化合物及其衍生物，它们的合成以及它们作为雌激素受体调节剂的用途。本发明的化合物是雌激素受体的配体，因此可能对治疗或预防与雌激素功能相关的多种疾病条件有用，包括：骨质疏松、骨折、骨质疏松症、软骨退化、子宫内膜异位症、子宫肌瘤病、潮热、低密度脂蛋白胆固醇水平升高、心血管疾病、认知功能障碍、脑退行性疾病、再狭窄、男性乳房增大、血管平滑肌细胞增殖、肥胖、尿失禁和癌症，尤其是乳腺、子宫和前列腺癌。
• Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs
  作者：Helen Y. Chen、Seongkon Kim、Jane Y. Wu、Elizabeth T. Birzin、Wanda Chan、Yi Tien Yang、Johanna Dahllund、Frank DiNinno、Susan P. Rohrer、James M. Schaeffer、Milton L. Hammond

  DOI：10.1016/j.bmcl.2004.02.084

  日期：2004.5

  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.