4-[[14,22,26-Tris(4-carboxyphenoxy)-7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzoic acid | 1312021-90-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 4-[[14,22,26-Tris(4-carboxyphenoxy)-7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzoic acid
• 英文别名: 4-[[14,22,26-tris(4-carboxyphenoxy)-7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzoic acid
• CAS: 1312021-90-1
• 化学式: C₇₆H₅₈N₂O₁₆
• 分子量: 1255.3
• InChiKey: UGYSJLQZUZLXBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.5
• 重原子数：
  94
• 可旋转键数：
  18
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  261
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  Methyl 4-[[7,18-bis[2,6-di(propan-2-yl)phenyl]-14,22,26-tris(4-methoxycarbonylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzoate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 以100%的产率得到4-[[14,22,26-Tris(4-carboxyphenoxy)-7,18-bis[2,6-di(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzoic acid
  参考文献：
  名称：

  Monovalent, Clickable, Uncharged, Water-Soluble Perylenediimide-Cored Dendrimers for Target-Specific Fluorescent Biolabeling

  摘要：

  Herein we report the synthesis of water-soluble polyglycerol-dendronized perylenediimides with a single reactive group that undergoes high-yielding click reactions. Single-molecule studies and target-specific biolabeling are reported, including the highly specific labeling of proteins on the surface of living bacterial and mammalian cells.

  DOI：

  10.1021/ja2009136

文献信息

• Monovalent, Clickable, Uncharged, Water-Soluble Perylenediimide-Cored Dendrimers for Target-Specific Fluorescent Biolabeling
  作者：Si Kyung Yang、Xinghua Shi、Seongjin Park、Sultan Doganay、Taekjip Ha、Steven C. Zimmerman

  DOI：10.1021/ja2009136

  日期：2011.7.6

  Herein we report the synthesis of water-soluble polyglycerol-dendronized perylenediimides with a single reactive group that undergoes high-yielding click reactions. Single-molecule studies and target-specific biolabeling are reported, including the highly specific labeling of proteins on the surface of living bacterial and mammalian cells.