1-[7-(Trifluoromethyl)-1-benzothiophen-2-yl]ethanone | 1186033-31-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1-[7-(Trifluoromethyl)-1-benzothiophen-2-yl]ethanone
• CAS: 1186033-31-7
• 化学式: C₁₁H₇F₃OS
• 分子量: 244.237
• InChiKey: UPWYIMWXBIQWNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(ethylthio)-3-(trifluoromethyl)benzaldehyde 、 一氯丙酮 在 calcium oxide 作用下， 反应 3.0h， 生成 1-[7-(Trifluoromethyl)-1-benzothiophen-2-yl]ethanone
  参考文献：
  名称：

  Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor

  摘要：

  A novel series of 1-(benzo[b]thiophen-2-yl)ethanone analogues were prepared and evaluated for enhancing BMP-2 expression. Compounds 1-5, 7, 8, 12, 13 and 16, with upregulation rate values of 35.6%, 27.9%, 39.8%, 32.0%, 37.1%, 30.2%, 28.0%, 33.5%, 22.8% and 27.3% in vitro, respectively, at a concentration of 4 mu M, exhibited potent effect for enhancing BMP-2 expression. We also found that compounds 1 and 12 produced a dose-dependent increase on bone histology and histomorphometry, and effectively reduced bone defects induced by ovariectomy in an ovariectomized rat model (OVX). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.118

文献信息

• Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor
  作者：Zong-ying Liu、Xiao-bo He、Zhao-yong Yang、Hua-yi Shao、Xue Li、Hui-fang Guo、Yue-qin Zhang、Shu-yi Si、Zhuo-rong Li

  DOI：10.1016/j.bmcl.2009.05.118

  日期：2009.8

  A novel series of 1-(benzo[b]thiophen-2-yl)ethanone analogues were prepared and evaluated for enhancing BMP-2 expression. Compounds 1-5, 7, 8, 12, 13 and 16, with upregulation rate values of 35.6%, 27.9%, 39.8%, 32.0%, 37.1%, 30.2%, 28.0%, 33.5%, 22.8% and 27.3% in vitro, respectively, at a concentration of 4 mu M, exhibited potent effect for enhancing BMP-2 expression. We also found that compounds 1 and 12 produced a dose-dependent increase on bone histology and histomorphometry, and effectively reduced bone defects induced by ovariectomy in an ovariectomized rat model (OVX). (C) 2009 Elsevier Ltd. All rights reserved.