{2-[2-(4,5-dimethoxy-2-nitrobenzyloxy)-4,6-dimethylphenyl]-1-hydroxymethyl-2-methylpropyl}carbamic acid tert-butyl ester | 1228829-22-8

• 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: {2-[2-(4,5-dimethoxy-2-nitrobenzyloxy)-4,6-dimethylphenyl]-1-hydroxymethyl-2-methylpropyl}carbamic acid tert-butyl ester
• CAS: 1228829-22-8
• 化学式: C₂₇H₃₈N₂O₈
• 分子量: 518.607
• InChiKey: PAJQRRKODIHLJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.97
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  129.39
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  {2-[2-(4,5-dimethoxy-2-nitrobenzyloxy)-4,6-dimethylphenyl]-1-hydroxymethyl-2-methylpropyl}carbamic acid tert-butyl ester 在 重铬酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以82%的产率得到{2-[2-(4,5-dimethoxy-2-nitrobenzyloxy)-4,6-dimethylphenyl]-1-formyl-2-methylpropyl}carbamic acid tert-butyl ester
  参考文献：
  名称：

  双光子近红外激发响应肽的发展及光响应肽键裂解反应

  摘要：

  开发了双光子近红外激发响应型氨基酸。将其掺入肽中，并在光响应性氨基酸的C-末端位置聚焦近红外脉冲激光辐照诱导的肽键裂解反应。

  DOI：

  10.1016/j.tetlet.2010.03.079
• 作为产物：
  描述：

  4,5-二甲氧基-2-硝基溴苄 在 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 {2-[2-(4,5-dimethoxy-2-nitrobenzyloxy)-4,6-dimethylphenyl]-1-hydroxymethyl-2-methylpropyl}carbamic acid tert-butyl ester
  参考文献：
  名称：

  Polymer Nanoparticles Modified with Photo- and pH-Dual-Responsive Polypeptides for Enhanced and Targeted Cancer Therapy

  摘要：

  The cationic nature of cell penetrating peptides (CPPs) and their absence of cell selectivity restrains their applications in vivo. In this work, polymer nanoparticles (NPs) modified with photo- and pH-responsive polypeptides (PPPs) were successfully developed and respond to near-infrared (NIR) light illumination at the tumor site and a lowered tumor extracellular pH (pHe). In PPPs, the internalization function of CPPs (positively charged) is quenched by a pH-sensitive inhibitory peptide (negatively charged), which is linked via a photocleavable group. Small interfering RNA (siRNA) was loaded into NPs by a double-emulsion technique. In vivo experiments included siRNA loading, cellular uptake, cell apoptosis, siRNA transfection, tumor targeting delivery, and the in vivo antitumor efficacy. Results showed that the prepared PPP-NPs could selectively accumulate at the tumor sites and internalized into the tumor cells by the NIR light illumination and the lowered pHe at the tumor site. These studies demonstrated that PPP-NPs are a promising carrier for future tumor gene delivery.

  DOI：

  10.1021/acs.molpharmaceut.5b00977