6-Methoxy-2-(4-methoxy-3-propylphenyl)-1-benzothiophene | 414861-50-0

• 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: 6-Methoxy-2-(4-methoxy-3-propylphenyl)-1-benzothiophene
• CAS: 414861-50-0
• 化学式: C₁₉H₂₀O₂S
• 分子量: 312.433
• InChiKey: SBHLMGYWTBHUJF-UHFFFAOYSA-N

物化性质

• 沸点：
  452.4±45.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  46.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-Methoxy-2-(4-methoxy-3-propylphenyl)-1-benzothiophene 在 三溴化硼 作用下， 生成 2-(4-hydroxy-3-n-propylphenyl)benzo[b]thiophene-6-ol
  参考文献：
  名称：

  Toward Selective ERβ Agonists for Central Nervous System Disorders:  Synthesis and Characterization of Aryl Benzthiophenes

  摘要：

  In an effort to identify selective ligands for the estrogen receptor subtype ERbeta, a series of aryl benzthiophenes was synthesized. In a radioligand binding assay and reporter gene assays in HeLa and SH-SY5Y cells, compounds were characterized as ERbeta-selective agonists. By targeting ER in the brain, these compounds could lead to drugs able to separate the beneficial effects of estrogens on mood, learning, and memory from side effects such as the stimulation of endometrial and breast cancer.

  DOI：

  10.1021/jm015577l
• 作为产物：
  描述：

  6-甲氧基苯并噻吩 在 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 生成 6-Methoxy-2-(4-methoxy-3-propylphenyl)-1-benzothiophene
  参考文献：
  名称：

  Toward Selective ERβ Agonists for Central Nervous System Disorders:  Synthesis and Characterization of Aryl Benzthiophenes

  摘要：

  In an effort to identify selective ligands for the estrogen receptor subtype ERbeta, a series of aryl benzthiophenes was synthesized. In a radioligand binding assay and reporter gene assays in HeLa and SH-SY5Y cells, compounds were characterized as ERbeta-selective agonists. By targeting ER in the brain, these compounds could lead to drugs able to separate the beneficial effects of estrogens on mood, learning, and memory from side effects such as the stimulation of endometrial and breast cancer.

  DOI：

  10.1021/jm015577l

文献信息

• Toward Selective ERβ Agonists for Central Nervous System Disorders:  Synthesis and Characterization of Aryl Benzthiophenes
  作者：Ulrich Schopfer、Philippe Schoeffter、Serge F. Bischoff、Joachim Nozulak、Dominik Feuerbach、Philipp Floersheim

  DOI：10.1021/jm015577l

  日期：2002.3.1

  In an effort to identify selective ligands for the estrogen receptor subtype ERbeta, a series of aryl benzthiophenes was synthesized. In a radioligand binding assay and reporter gene assays in HeLa and SH-SY5Y cells, compounds were characterized as ERbeta-selective agonists. By targeting ER in the brain, these compounds could lead to drugs able to separate the beneficial effects of estrogens on mood, learning, and memory from side effects such as the stimulation of endometrial and breast cancer.