1-(bromomethyl)-3,5-bis(hexadecyloxy)benzene | 370564-69-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(bromomethyl)-3,5-bis(hexadecyloxy)benzene
• 英文别名: 1-(Bromomethyl)-3,5-dihexadecoxybenzene
• CAS: 370564-69-5
• 化学式: C₃₉H₇₁BrO₂
• 分子量: 651.896
• InChiKey: LRUBAJCEVHMVCP-UHFFFAOYSA-N

物化性质

• 沸点：
  666.0±40.0 °C(Predicted)
• 密度：
  0.984±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.9
• 重原子数：
  42
• 可旋转键数：
  33
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(bromomethyl)-3,5-bis(hexadecyloxy)benzene 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Chemical modifications of resveratrol for improved protein kinase C alpha activity

  摘要：

  Resveratrol (1) is a naturally occurring phytoalexin that affects a variety of human disease models, including cardio-and neuroprotection, immune regulation, and cancer chemoprevention. One of the possible mechanisms by which resveratrol affects these disease states is by affecting the cellular signaling network involving protein kinase C alpha (PKC alpha). PKC alpha is a member of the family of serine/threonine kinases, whose activity is inhibited by resveratrol. To study the structure-activity relationship, several monoalkoxy, dialkoxy and hydroxy analogs of resveratrol have been synthesized, tested for their cytotoxic effects on HEK293 cells, measured their effects on the membrane translocation properties of PKC alpha in the presence and absence of the PKC activator TPA, and studied their binding with the activator binding domain of PKC alpha. The analogs showed less cytotoxic effects on HEK293 cells and caused higher membrane translocation (activation) than that of resveratrol. Among all the analogs, 3, 16 and 25 showed significantly higher activation than resveratrol. Resveratrol analogs, however, inhibited phorbol ester-induced membrane translocation, and the inhibition was less than that of resveratrol. Binding studies using steady state fluorescence spectroscopy indicated that resveratrol and the analogs bind to the second cysteine-rich domain of PKC alpha. The molecular docking studies indicated that resveratrol and the analogs interact with the protein by forming hydrogen bonds through its hydroxyl groups. These results signify that molecules developed on a resveratrol scaffold can attenuate PKC alpha activity and this strategy can be used to regulate various disease states involving PKC alpha. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.008
• 作为产物：
  描述：

  3,5-二羟基苯甲酸甲酯 在 lithium aluminium tetrahydride 、 四溴化碳 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.42h， 生成 1-(bromomethyl)-3,5-bis(hexadecyloxy)benzene
  参考文献：
  名称：

  通过含烯二炔树枝状聚合物的bergman环化作用实现多壁碳纳米管的共价表面功能化

  摘要：

  利用含烯二炔化合物的Bergman环化作用产生的自由基，开发了一种多壁碳纳米管（MWCNT）的共价官能化方法。大量合成并表征了四种含烯二炔的Frechet型树状聚合物。然后，使含烯二炔的分子与N中的MWCNTs反应氮下于206°C时的2-甲基-2-吡咯烷酮。通过热重分析，紫外可见光谱，傅立叶变换红外光谱，拉曼光谱和透射电子显微镜对所得产物的结构和形态进行表征。树枝状聚合物官能化的MWCNT在常见的有机溶剂和聚合物溶液中显示出良好的溶解性/分散性。它们通过与聚己内酯电纺丝用于聚合物复合材料的形成。结果证实了MWCNT的表面功能化。©2011 Wiley Periodicals，Inc. J Polym Sci A部分：Polym Chem，2011年

  DOI：

  10.1002/pola.24834

文献信息

• Conformational Effects on the Threading Kinetics of Dumbbell‐Shaped Guests into the Cavity of Oxatub[4]arene
  作者：Fei Jia、Dong‐Hao Li、Shan He、Liu‐Pan Yang、Wei Jiang

  DOI：10.1002/anie.202212305

  日期：2022.11.7

  observed in a two-component system containing a viologen-based guest and oxatub[4]arene through the involvement of the three conformers of the host. In addition, an unprecedented threading mechanism involving the tilted conformation of the guests was revealed to be responsible for the very fast kinetics and for the threading of guests with very large stoppers.

  通过宿主的三个构象异构体的参与，在一个包含紫罗碱基客体和氧杂蒽酮 [4] 芳烃的双组分系统中观察到复杂的动力学行为。此外，一种前所未有的涉及客体倾斜构造的穿线机制被揭示为非常快速的动力学和具有非常大的塞子的客体穿线的原因。