[9-[4-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium

• 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: [9-[4-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
• 英文别名: [9-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
• 化学式: C33H39N6O7+
• 分子量: 631.7
• InChiKey: YREJCORUQQJQHB-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  46
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION
  申请人：REGENTS OF THE UNIVERSITY OF MINNESOTA

  公开号：US20160271261A1

  公开（公告）日：2016-09-22

  The present invention relates to triorthogonal reagents useful for site-specifically modifying a protein with two orthogonal groups that can be subsequently functionalized in a single one-pot procedure. This approach relies on the selective tagging of proteins containing an appended farnesyltransferase or geranylgeranyltransferase I substrate sequence. The incorporation of a bifunctional ethynyl-hydroxybenzaldehyde into the farnesyl or geranylgeranyl group facilitates the facile labeling of proteins with two different moieties.

  本发明涉及三正交试剂，用于在蛋白质中特异性地修饰两个正交基团，随后可以在单一一锅法中进行功能化。这种方法依赖于选择性地标记含有附加法尼酰转移酶或戊二烯基转移酶I底物序列的蛋白质。将双功能乙炔基-羟基苯甲醛并入法尼酰或戊二烯基基团中，有助于轻松地用两种不同的基团标记蛋白质。