di(tert-butyl) (2R,4S)-2-{4-[((1S)-5-(acetylamino)-1-{[4-((E)-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tert-butoxycarbonyl)amino]pentane-1,5-dioate | 1612254-92-8

• 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-[ethyl(2-hydroxyethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tert-butoxycarbonyl)amino]pentane-1,5-dioate
• CAS: 1612254-92-8
• 化学式: C₄₆H₇₁N₇O₁₀
• 分子量: 882.111
• InChiKey: OHNQADCDOIQBTO-VZNPXECSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  63.0
• 可旋转键数：
  23.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  226.42
• 氢给体数：
  5.0
• 氢受体数：
  13.0

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-[ethyl(2-hydroxyethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tert-butoxycarbonyl)amino]pentane-1,5-dioate 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 氘代二甲亚砜 、 二氯甲烷 、 甲苯 为溶剂， 反应 10.03h， 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-(allyloxy)ethyl](ethyl)amino]phenyl]-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tert-butoxycarbonyl)amino]pentane-1,5-dioate 在 tris(triphenylphosphine)rhodium(l) chloride 、 水 、 mercury dichloride 、 mercury(II) oxide 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 3.5h， 以48%的产率得到di(tert-butyl) (2R,4S)-2-{4-[((1S)-5-(acetylamino)-1-{[4-((E)-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-diazenyl)anilino]carbonyl}pentyl)amino]-4-oxobutyl}-4-[(tert-butoxycarbonyl)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