di(tert-butyl) (2R,4S)-2-{4-[((1S)-5-(acetylamino)-1-{[4-((E)-{4-[[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl](ethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tertbutoxycarbonyl)amino]pentane-1,5-dioate | 1612254-94-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: di(tert-butyl) (2R,4S)-2-{4-[((1S)-5-(acetylamino)-1-{[4-((E)-{4-[[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl](ethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tertbutoxycarbonyl)amino]pentane-1,5-dioate
• CAS: 1612254-94-0
• 化学式: C₅₀H₇₂N₈O₁₁
• 分子量: 961.169
• InChiKey: QVTKWPVMXVSCSB-LFUNNHBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.34
• 重原子数：
  69.0
• 可旋转键数：
  24.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  243.57
• 氢给体数：
  4.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  di(tert-butyl) (2R,4S)-2-{4-[((1S)-5-(acetylamino)-1-{[4-((E)-{4-[[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl](ethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tertbutoxycarbonyl)amino]pentane-1,5-dioate 以 氘代二甲亚砜 、 二氯甲烷 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Two-Photon Neuronal and Astrocytic Stimulation with Azobenzene-Based Photoswitches

  摘要：

  Synthetic photochromic compounds can be designed to control a variety of proteins and their biochemical functions in living cells, but the high spatiotemporal precision and tissue penetration of two-photon stimulation have never been investigated in these molecules. Here we demonstrate two-photon excitation of azobenzene-based protein switches and versatile strategies to enhance their photochemical responses. This enables new applications to control the activation of neurons and astrocytes with cellular and subcellular resolution.

  DOI：

  10.1021/ja5026326
• 作为产物：
  描述：

  di(tert-butyl) (2R,4S)-2-{4-[((1S)-5-(acetylamino)-1-{[4-((E)-{4-[(2-((1R,2S,6R,7S)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6]dec-8-en-4-yl)ethyl)(ethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tertbutoxycarbonyl)amino]pentane-1,5-dioate 以 甲苯 为溶剂， 反应 5.0h， 以90%的产率得到di(tert-butyl) (2R,4S)-2-{4-[((1S)-5-(acetylamino)-1-{[4-((E)-{4-[[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl](ethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tertbutoxycarbonyl)amino]pentane-1,5-dioate
  参考文献：
  名称：

  Two-Photon Neuronal and Astrocytic Stimulation with Azobenzene-Based Photoswitches

  摘要：

  Synthetic photochromic compounds can be designed to control a variety of proteins and their biochemical functions in living cells, but the high spatiotemporal precision and tissue penetration of two-photon stimulation have never been investigated in these molecules. Here we demonstrate two-photon excitation of azobenzene-based protein switches and versatile strategies to enhance their photochemical responses. This enables new applications to control the activation of neurons and astrocytes with cellular and subcellular resolution.

  DOI：

  10.1021/ja5026326