[Asp(OBu-t)]2-R110 | 223538-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [Asp(OBu-t)]2-R110
• 英文别名: tert-butyl (3S)-3-amino-4-[[6'-[[(2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-4-oxobutanoate
• CAS: 223538-70-3
• 化学式: C₃₆H₄₀N₄O₉
• 分子量: 672.735
• InChiKey: GNJJDEXOJTVZEM-UIOOFZCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  49
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  198
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  [Asp(OBu-t)]2-R110 在 哌啶 、 吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Fluorescent molecular probes V: A sensitive caspase-3 substrate for fluorometric assays

  摘要：

  (Z-Asp-Glu-Val-Asp)-Rhodamine 110 [(Z-DEVD)2-Rh 110] was prepared and characterized as a sensitive fluorogenic substrate for the determination of caspase-3 activity.

  DOI：

  10.1016/s0960-894x(99)00566-1
• 作为产物：
  描述：

  rhodamine 110 在 哌啶 、 吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 [Asp(OBu-t)]2-R110
  参考文献：
  名称：

  Fluorescent molecular probes V: A sensitive caspase-3 substrate for fluorometric assays

  摘要：

  (Z-Asp-Glu-Val-Asp)-Rhodamine 110 [(Z-DEVD)2-Rh 110] was prepared and characterized as a sensitive fluorogenic substrate for the determination of caspase-3 activity.

  DOI：

  10.1016/s0960-894x(99)00566-1

文献信息

• Cell-Permeable [^99mTc(CO₃)]-Labeled Fluorogenic Caspase 3 Substrate for Dual-Modality Detection of Apoptosis
  作者：Chiyi Xiong、Wei Lu、Rui Zhang、Mei Tian、William Tong、Juri Gelovani、Chun Li

  DOI：10.1002/chem.200900766

  日期：2009.9.14

  To image apoptosis in vivo, a small, membrane‐permeable probe comprising a caspase 3 substrate, a fluorogenic dye, and a radionuclide was synthesized (see scheme). This dual‐modality probe was specifically cleaved by caspase 3 upon exposure to apoptotic cells, allowing the imaging of caspase 3 activities (see figure) and apoptosis by using both optical and nuclear imaging techniques.

  为了在体内对细胞凋亡进行成像，合成了一种包含半胱天冬酶 3 底物、荧光染料和放射性核素的小型透膜探针（参见方案）。这种双模态探针在暴露于凋亡细胞时被 caspase 3 特异性切割，从而允许使用光学和核成像技术对 caspase 3 活性（见图）和细胞凋亡进行成像。
• DUAL MODALITY DETECTION OF APOPTOSIS
  申请人：Li Chun

  公开号：US20110165611A1

  公开（公告）日：2011-07-07

  To image apoptosis in vivo, small, membrane-permeable probes comprising a caspase 3 substrate, a fluorogenic dye and a radionuclide is provided. This dual-modality probe can be cleaved by caspase upon exposure to apoptotic cells, allowing imaging of caspase 3 and 7 activities using both optical and nuclear imaging techniques. The combined use of these methods provides the opportunity for a direct correlation between in vitro and in vivo biological activities and a viable method to treat disease
• [EN] DUAL MODALITY DETECTION OF APOPTOSIS<br/>[FR] DÉTECTION D'APOPTOSE À DOUBLE MODALITÉ
  申请人：UNIV TEXAS

  公开号：WO2010028156A2

  公开（公告）日：2010-03-11

  To image apoptosis in vivo, small, membrane-permeable probes comprising a caspase 3 substrate, a fluorogenic dye and a radionuclide is provided. This dual-modality probe can be cleaved by caspase upon exposure to apoptotic cells, allowing imaging of caspase 3 and 7 activities using both optical and nuclear imaging techniques. The combined use of these methods provides the opportunity for a direct correlation between in vitro and in vivo biological activities and a viable method to treat disease