ethyl (2S)-2-[[2-[7-[2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-phenylpropanoate | 881387-34-4

• 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: ethyl (2S)-2-[[2-[7-[2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-phenylpropanoate
• CAS: 881387-34-4
• 化学式: C₄₇H₅₇N₇O₇S
• 分子量: 864.078
• InChiKey: LWYAZBJTPHCRJX-ZAQUEYBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  62
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  188
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  ethyl (2S)-2-[[2-[7-[2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-phenylpropanoate 在 potassium hydroxide 、 水 、 盐酸 作用下， 以 氘代甲醇 、 水 为溶剂， 反应 10.0h， 以54%的产率得到(2S)-2-[[2-[7-[2-[[(1S)-1-carboxy-2-phenylethyl]amino]-2-oxoethyl]-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-phenylpropanoic acid
  参考文献：
  名称：

  [EN] LUMINESCENT LANTHANIDE COMPLEXES
  [FR] COMPLEXES LUMINESCENTS DE LANTHANIDES

  摘要：

  本发明提供了一个化合物，其化学式为（I）：其中：R1是可选取代的2-（1-氮杂黄酮）;每个-R2独立地是公式-CH2-C（=O）-R4，其中R4是氨基酸或其盐，通过氨基团的氮原子连接到R2的其余部分;而R3是氢或C1-6烷基）;或（其中：R1是可选取代的2-（1-氮杂黄色素）;每个R2独立地是可选取代的戊二酸或琥珀酸，或其盐或酯;而R3是氢或C1-6烷基）。

  公开号：

  WO2010086615A1
• 作为产物：
  描述：

  4,10-Bis-[((S)-1-ethoxycarbonyl-2-phenyl-ethylcarbamoyl)-methyl]-1,4,7,10-tetraaza-cyclododecane-1,7-dicarboxylic acid dibenzyl ester 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 20.0 ℃ 、275.79 kPa 条件下， 反应 144.0h， 生成 ethyl (2S)-2-[[2-[7-[2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-phenylpropanoate
  参考文献：
  名称：

  A Europium Complex That Selectively Stains Nucleoli of Cells

  摘要：

  A europium complex selectively staining the nucleolus of NIH 3T3, HeLa, and HDF cells is reported. This complex possesses not only the advantage of the long lifetime of europium emission (0.3 ms), but also a chromophore that allows excitation at a relatively long wavelength (lambda(max) = 384 nm) and gives rise to an acceptable quantum yield (9%). The complex can be used both in live cell and fixed cell imaging, giving an average intracellular concentration on the order of 0.5 mu M. Strong binding to serum albumin has been demonstrated by examination of the analogous gadolinium complex, studying relaxivity changes with increasing protein concentration. The intracellular speciation of the complex has been examined by circularly polarized emission spectroscopy and is consistent with the presence of more than one europium species, possibly protein bound.

  DOI：

  10.1021/ja056303g

文献信息

• [EN] LUMINESCENT LANTHANIDE COMPLEXES<br/>[FR] COMPLEXES LUMINESCENTS DE LANTHANIDES
  申请人：UNIV DURHAM

  公开号：WO2010086615A1

  公开（公告）日：2010-08-05

  The invention provides a compound of formula (I): wherein: R1 is an optionally substituted 2-(1-azathiaxanthone); each -R2 is independently of the formula -CH2-C(=O)-R4, wherein R4 is an amino acid or a salt thereof, attached to the remainder of R2 through the nitrogen atom of the amino group; and R3 is hydrogen or a C1-6 alkyl group); or (wherein: R1 is an optionally substituted 2-(1-azaxanthone); each R2 is independently an optionally substituted glutaric or succinic acid, or a salt or ester thereof; and R3 is hydrogen or a C1-6 alkyl group).

  本发明提供了一个化合物，其化学式为（I）：其中：R1是可选取代的2-（1-氮杂黄酮）;每个-R2独立地是公式-CH2-C（=O）-R4，其中R4是氨基酸或其盐，通过氨基团的氮原子连接到R2的其余部分;而R3是氢或C1-6烷基）;或（其中：R1是可选取代的2-（1-氮杂黄色素）;每个R2独立地是可选取代的戊二酸或琥珀酸，或其盐或酯;而R3是氢或C1-6烷基）。
• A Europium Complex That Selectively Stains Nucleoli of Cells
  作者：Junhua Yu、David Parker、Robert Pal、Robert A. Poole、Martin J. Cann

  DOI：10.1021/ja056303g

  日期：2006.2.1

  A europium complex selectively staining the nucleolus of NIH 3T3, HeLa, and HDF cells is reported. This complex possesses not only the advantage of the long lifetime of europium emission (0.3 ms), but also a chromophore that allows excitation at a relatively long wavelength (lambda(max) = 384 nm) and gives rise to an acceptable quantum yield (9%). The complex can be used both in live cell and fixed cell imaging, giving an average intracellular concentration on the order of 0.5 mu M. Strong binding to serum albumin has been demonstrated by examination of the analogous gadolinium complex, studying relaxivity changes with increasing protein concentration. The intracellular speciation of the complex has been examined by circularly polarized emission spectroscopy and is consistent with the presence of more than one europium species, possibly protein bound.