2-[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | 1415099-95-4

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 1415099-95-4
• 化学式: C₇₅H₉₇N₂₉O₁₉
• 分子量: 1708.78
• InChiKey: LBXXOIXQCJSQJD-NRFIXVSPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.6
• 重原子数：
  123
• 可旋转键数：
  42
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  680
• 氢给体数：
  21
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  terbium(III) chloride hexahydrate 、 2-[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid 以 水 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Development of a dual functional luminescent sensor for zinc ion based on a peptidic architecture

  摘要：

  A synthetic peptide bearing a lanthanide complex, TbOTZ exhibits a decrease of chromophore fluorescence and a concomitant luminescence enhancement due to sensitized Tb3+ upon Zn2+ binding. Thus, TbOTZ can be a valuable tool for ratiometric sensing of Zn2+ as well as for time-resolved fluorescence detection with a single molecule. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.061
• 作为产物：
  描述：

  (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-4-oxobutanoic acid 、 Fmoc-甘氨酸 、 Fmoc-L-脯氨酸 、 N-芴甲氧羰基-L-组氨酸 、 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸三叔丁酯 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
  参考文献：
  名称：

  Development of a dual functional luminescent sensor for zinc ion based on a peptidic architecture

  摘要：

  A synthetic peptide bearing a lanthanide complex, TbOTZ exhibits a decrease of chromophore fluorescence and a concomitant luminescence enhancement due to sensitized Tb3+ upon Zn2+ binding. Thus, TbOTZ can be a valuable tool for ratiometric sensing of Zn2+ as well as for time-resolved fluorescence detection with a single molecule. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.061

文献信息

• Development of a dual functional luminescent sensor for zinc ion based on a peptidic architecture
  作者：Tasuku Hirayama、Masayasu Taki、Kazushi Akaoka、Yukio Yamamoto

  DOI：10.1016/j.bmcl.2012.10.061

  日期：2012.12

  A synthetic peptide bearing a lanthanide complex, TbOTZ exhibits a decrease of chromophore fluorescence and a concomitant luminescence enhancement due to sensitized Tb3+ upon Zn2+ binding. Thus, TbOTZ can be a valuable tool for ratiometric sensing of Zn2+ as well as for time-resolved fluorescence detection with a single molecule. (C) 2012 Elsevier Ltd. All rights reserved.