(2,2-di-tert-butyl-[1,3,2]dioxasilinan-5-yl)methanol | 866475-53-8

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (2,2-di-tert-butyl-[1,3,2]dioxasilinan-5-yl)methanol
• 英文别名: (2,2-Di-tert-butyl-1,3,2-dioxasilinan-5-yl)methanol；(2,2-ditert-butyl-1,3,2-dioxasilinan-5-yl)methanol
• CAS: 866475-53-8
• 化学式: C₁₂H₂₆O₃Si
• 分子量: 246.422
• InChiKey: ZEFFCLUNHXZJCC-UHFFFAOYSA-N

物化性质

• 沸点：
  287.7±13.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2,2-di-tert-butyl-[1,3,2]dioxasilinan-5-yl)methanol 在 吡啶 、 四溴化碳 、 potassium carbonate 、 三苯基膦 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4-{2-[4-(2,2-di-tert-butyl-[1,3,2]dioxasilinan-5-ylmethoxy)phenyl]vinyl}phenyl)methylamine
  参考文献：
  名称：

  F-18 Stilbenes as PET Imaging Agents for Detecting β-Amyloid Plaques in the Brain

  摘要：

  Imaging agents targeting beta-amyloid (A beta) may be useful for diagnosis and treatment of patients with Alzheimer's disease (AD). Compounds 3e and 4e are fluorinated stilbene derivatives displaying high binding affinities for A beta plaques in AD brain homogenates (K-i = 15 +/- 6 and 5.0 +/- 1.2 nM, respectively). In vivo biodistributions of [F-18]3e and [F-18]4e in normal mice exhibited excellent brain penetrations (5.55 and 9.75% dose/g at 2 min), and rapid brain washouts were observed, especially for [F-18]4e (0.72% dose/g at 60 min). They also showed in vivo plaque labeling in APP/PS1 or Tg2576 transgenic mice, animal models for AD. Autoradiography of postmortem AD brain sections and AD homogenate binding studies confirmed the selective and specific binding properties to A beta plaques. In conclusion, the preliminary results strongly suggest that these fluorinated stilbene derivatives, [F-18]3e and [(18F)]4e, are suitable candidates as A beta plaque imaging agents for studying patients with AD.

  DOI：

  10.1021/jm050166g
• 作为产物：
  描述：

  2-羟甲基-1,3-丙二醇 、 二叔丁基氯硅烷 在 1-羟基苯并三唑 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (2,2-di-tert-butyl-[1,3,2]dioxasilinan-5-yl)methanol
  参考文献：
  名称：

  F-18 Stilbenes as PET Imaging Agents for Detecting β-Amyloid Plaques in the Brain

  摘要：

  Imaging agents targeting beta-amyloid (A beta) may be useful for diagnosis and treatment of patients with Alzheimer's disease (AD). Compounds 3e and 4e are fluorinated stilbene derivatives displaying high binding affinities for A beta plaques in AD brain homogenates (K-i = 15 +/- 6 and 5.0 +/- 1.2 nM, respectively). In vivo biodistributions of [F-18]3e and [F-18]4e in normal mice exhibited excellent brain penetrations (5.55 and 9.75% dose/g at 2 min), and rapid brain washouts were observed, especially for [F-18]4e (0.72% dose/g at 60 min). They also showed in vivo plaque labeling in APP/PS1 or Tg2576 transgenic mice, animal models for AD. Autoradiography of postmortem AD brain sections and AD homogenate binding studies confirmed the selective and specific binding properties to A beta plaques. In conclusion, the preliminary results strongly suggest that these fluorinated stilbene derivatives, [F-18]3e and [(18F)]4e, are suitable candidates as A beta plaque imaging agents for studying patients with AD.

  DOI：

  10.1021/jm050166g

文献信息

• Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers
  作者：Xiaobo Hu、Simon J. Dawson、Pradeep K. Mandal、Xavier de Hatten、Benoit Baptiste、Ivan Huc

  DOI：10.1039/c7sc00430c

  日期：——

  carboxymethyl, sulfonic acid, or bis(hydroxymethyl)-methoxy side chains in position 4 or 5, were prepared on a multi gram scale. Fmoc protection of the main chain amine and suitable protections of the side chains ensured compatibility with solid phase synthesis. One tetrameric and five octameric oligoamides displaying these side chains were synthesized and shown to be soluble in water. In all cases

  来自水中的芳族化合物晶体的生长在很大程度上取决于它们所具有的水溶性功能的性质。在化学的各个领域中，合理化从芳香族分子和超分子体系中水的结晶以及阐明结构的方法都具有普遍的价值。以螺旋芳香族折叠剂为例，我们已经验证了几个短极性侧链是有效的取代基，可以提供在水中的溶解度和晶体的生长能力。以克为单位制备了新的8-氨基-2-喹啉羧酸，其在4或5位带有带电或中性的氨甲基，羧甲基，磺酸或双（羟甲基）-甲氧基侧链。主链胺的Fmoc保护和侧链的适当保护确保了与固相合成的相容性。合成了显示出这些侧链的一种四聚体和五种八聚体低酰胺，并且显示出它们可溶于水。除了一种情况外，在所有情况下，都使用悬滴法获得了晶体，从而验证了结合极性和刚度的初始设计原理。抵抗结晶的唯一情况似乎是由于八种磺酸官能团赋予的极高的水溶性。中性侧链确实提供了从水中的晶体生长能力，但对溶解度的贡献很差。抵抗结晶的唯一情况似乎是由于八种磺酸官能团
• Stilbene derivatives and their use for binding and imaging amyloid plaques
  申请人：Kung F. Hank

  公开号：US20060269474A1

  公开（公告）日：2006-11-30

  This invention relates to a method of imaging amyloid deposits and to labeled compounds, and methods of making labeled compounds useful in imaging amyloid deposits. This invention also relates to compounds, and methods of making compounds for inhibiting the aggregation of amyloid proteins to form amyloid deposits, and a method of delivering a therapeutic agent to amyloid deposits.

  本发明涉及一种成像淀粉样沉积物的方法，以及标记化合物和制备标记化合物的方法，以用于成像淀粉样沉积物。此外，本发明还涉及化合物和制备化合物的方法，以抑制淀粉样蛋白聚集形成淀粉样沉积物，并将治疗剂递送到淀粉样沉积物的方法。