tetra(tert-butyl) 2,2',2'',2'''-{[2-(4-aminophenyl)ethylimino]bis(methylene)bis(4-bromopyridin-6,2-diyl)bis(methylenenitrilo)}tetrakis(acetate) | 178321-76-1

• 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: tetra(tert-butyl) 2,2',2'',2'''-{[2-(4-aminophenyl)ethylimino]bis(methylene)bis(4-bromopyridin-6,2-diyl)bis(methylenenitrilo)}tetrakis(acetate)
• 英文别名: tetra(tert-butyl) 2,2',2'',2'''-{[2-(4-aminophenyl)ethylimino]bis(methylene)bis(4-bromopyridine-6,2-diyl)bis(methylenenitrilo)}tetrakis(acetate)；Tetra(tert-butyl)-2,2',2'',2'''-{[2-(4-aminophenyl)ethylimino]-bis(methylene)bis(4-bromopyridine-6,2-diyl)bis(methylenenitrilo)}tetrakis(acetate)；tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-4-bromopyridin-2-yl]methyl]amino]methyl]-4-bromopyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
• CAS: 178321-76-1
• 化学式: C₄₆H₆₆Br₂N₆O₈
• 分子量: 990.873
• InChiKey: XKPUQNQFYBRUOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  62
• 可旋转键数：
  27
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  167
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  tetra(tert-butyl) 2,2',2'',2'''-{[2-(4-aminophenyl)ethylimino]bis(methylene)bis(4-bromopyridin-6,2-diyl)bis(methylenenitrilo)}tetrakis(acetate) 在 bis(triphenylphosphine)palladium(II)-chloride copper(l) iodide 、 三氟乙酸 作用下， 以 四氢呋喃 、 三乙胺 为溶剂， 反应 19.5h， 生成
  参考文献：
  名称：

  具有4-（苯基乙炔基）吡啶亚基的新型Eu III络合剂和标记的合成和发光

  摘要：

  报道了含有H 2 O-可溶性络合剂的新型4-（苯基乙炔基）吡啶亚基的合成及其与Eu III离子的发光。获得具有高发光强度以及量子产率的配体。同样，制备的标记试剂作为抗体偶联物，给出了H 2 O可溶性Eu III标记的最高量子和发光产率。

  DOI：

  10.1002/hlca.19960790321
• 作为产物：
  描述：

  4-溴-2,6-双(溴甲基)吡啶 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 生成 tetra(tert-butyl) 2,2',2'',2'''-{[2-(4-aminophenyl)ethylimino]bis(methylene)bis(4-bromopyridin-6,2-diyl)bis(methylenenitrilo)}tetrakis(acetate)
  参考文献：
  名称：

  具有4-（苯基乙炔基）吡啶亚基的新型Eu III络合剂和标记的合成和发光

  摘要：

  报道了含有H 2 O-可溶性络合剂的新型4-（苯基乙炔基）吡啶亚基的合成及其与Eu III离子的发光。获得具有高发光强度以及量子产率的配体。同样，制备的标记试剂作为抗体偶联物，给出了H 2 O可溶性Eu III标记的最高量子和发光产率。

  DOI：

  10.1002/hlca.19960790321

文献信息

• ランタニドキレートのための新規発色団構造
  申请人：ラジオメーター・トゥルク・オサケユキチュア

  公开号：JP2017520516A

  公开（公告）日：2017-07-27

  本出願は、発光ランタニドイオン（例えば、ユーロピウム（ＩＩＩ）イオン）の周りにフルオレニル−、フルオレニルエチニル、９Ｈ−カルバゾリル−、９Ｈ−カルバゾリルエチニル−、ジベンゾチオフェニル−、ジベンゾチオフェニルエチニル−、ジベンゾフラニル又はジベンゾフラニルエチニルピリジン発色団を有する新規ランタニドキレート設計（式（Ｉ）及び式（ＩＩＩ））を開示する。この３員環発色団は、ランタニドイオンと共に高いモル吸光係数及びルミネセンスを示す。本出願は、生体親和性に基づく結合アッセイで有用な生体特異的結合反応体を含む検出可能分子、発光ランタニドキレート化配位子、並びに前記キレートと共役した固体担体も開示する。【選択図】無し

  This application discloses a novel lanthanide chelate design (Formulas (I) and (III)) containing fluorenyl-, fluorenyl-ethynyl, 9H-carbazolyl-, 9H-carbazolyl-ethynyl-, dibenzothiophenyl-, dibenzothiophenyl-ethynyl-, dibenzofuranyl, or dibenzofuranyl-ethynyl-pyridine chromophores around luminescent lanthanide ions (e.g., europium (III) ions). These three-membered ring chromophores exhibit high molar absorptivity and luminescence along with lanthanide ions. This application also discloses detectable molecules containing useful biologically specific binding reaction bodies based on binding assays with biocompatibility, luminescent lanthanide chelating ligands, and solid carriers conjugated with the chelate.【Selected Figures】None
• A Europium Chelate for Quantitative Point-of-Care Immunoassays Using Direct Surface Measurement
  作者：Piia von Lode、Jaana Rosenberg、Kim Pettersson、Harri Takalo

  DOI：10.1021/ac0340051

  日期：2003.7.1

  New labels and assay techniques are needed to improve the sensitivity and quantitativeness of point-of-care immunotesting while sustaining the rapidity and ease of use of the assays. We synthesized a novel, intrinsically fluorescent nonadentate europium chelate with two chromophores and hydrophilic α-galactose side groups. The chelate is highly fluorescent, soluble in water, and provides effective shielding of Eu from water. The performance of the nonadentate chelate was compared with a heptadentate chelate in a dry reagent immunoassay for human chorionic gonadotropin (hCG). After 15-min incubation and washing, time-resolved fluorescence was measured directly from a wet or dried well surface. Contrary to the heptadentate label, the effect of aqueous quenching on the nonadentate label was found to be insignificant, with calculated analytical detection limits (background + 3 SD) of 0.9 and 0.7 IU/L hCG for wet and dry measurements, respectively, and a linear range up to 5000 IU/L. The CVs for the new label were <8% at the cutoff of 25 IU/L and above in both whole blood and plasma. The novel nonadentate label facilitates short turnaround times and simple instrumentation due to the absence of all signal development steps, at the same time retaining an excellent immunoassay performance.

  需要新的标签和检测技术来提高现场免疫检测的灵敏度和定量性，同时保持检测的快速性和易用性。我们合成了一种新型的内源性荧光非九齿铕配合物，具有两个色基和亲水性的α-半乳糖侧基。该配合物具有高度荧光性，易溶于水，并有效地保护铕不受水的影响。在对人绒毛膜促性腺激素（hCG）的干试剂免疫检测中，将非九齿配合物的性能与七齿配合物进行了比较。经过15分钟的孵育和洗涤后，从湿或干的孔表面直接测量了时间分辨荧光。与七齿标签相比，发现水相猝灭对非九齿标签的影响微乎其微，计算出的分析检测限（背景+3倍标准差）分别为湿测和干测的0.9和0.7 IU/L hCG，线性范围可达5000 IU/L。新标签在25 IU/L及以上的切割点处的变异系数（CV）均小于8%，适用于全血和血浆。该新型非九齿标签由于省略了所有信号开发步骤，促进了短周转时间和简单仪器的使用，同时保持了优异的免疫检测性能。
• [EN] NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE<br/>[FR] NOUVEAUX AGENTS CHELATEURS, NOUVEAUX CHELATES ET LEUR UTILISATION
  申请人：WALLAC OY

  公开号：WO2005021538A1

  公开（公告）日：2005-03-10

  This invention relates to a group of novel chelating agents, novel chelates, biomolecules labeled with said chelates or chelating agents as well as solid supports conjugated with said chelates, chelating agents or labeled biomolecules. Especially the invention relates to novel chelating agents useful in solid phase synthesis of oligonucleotides or oligopeptides and the oligonucleotides and oligopeptides so obtained.

  这项发明涉及一组新型螯合剂、新型螯合物、用所述螯合物或螯合剂标记的生物分子，以及与所述螯合物、螯合剂或标记的生物分子结合的固相支持物。特别是该发明涉及在寡核苷酸或寡肽的固相合成中有用的新型螯合剂，以及由此获得的寡核苷酸和寡肽。
• Novel chelating agents and chelates and their use
  申请人：Hovinen Jari

  公开号：US20050084451A1

  公开（公告）日：2005-04-21

  This invention relates to a group of novel chelating agents, novel chelates, biomolecules labeled with said chelates or chelating agents as well as solid supports conjugated with said chelates, chelating agents or labeled biomolecules. Especially the invention relates to novel chelating agents useful in solid phase synthesis of oligonucleotides or oligopeptides and the oligonucleotides and oligopeptides so obtained.

  本发明涉及一组新型螯合剂，新型螯合物，标记有所述螯合物或螯合剂的生物分子以及与所述螯合物，螯合剂或标记生物分子结合的固体支持物。特别地，本发明涉及在寡核苷酸或寡肽的固相合成中有用的新型螯合剂以及所获得的寡核苷酸和寡肽。
• LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE
  申请人：Takalo Harri

  公开号：US20100081211A1

  公开（公告）日：2010-04-01

  The invention relates to a detectable molecule comprising a biospecific binding reactant attached to a luminescent lanthanide chelate comprising a lanthanide ion and a chelating ligand of the formula (I) wherein, R 1A R 1B are independently of each other selected from the group consisting of hydrogen, methyl, ethyl, —COOH, —COO—, —CH 2 COOH, —CH 2 COO—, hydroxyl or OR 2 ; R 2 is selected from the group consisting of —CH 3 , —C(CH 3 ) 3 , —C(CR 4 ) 3 , wherein R 4 is an alkyl with 1 to 6 carbon atoms, —CH 2 COOH, —CH 2 COO − , and appropriate hexose residues; R 3 is a linker for coupling to a biospecific binding reactant selected from the group consisting of thiourea (—NH—CS—NH—), aminoacetamide (—NH—CO—CH 2 —NH—), amide (—NH—CO— and —CO—NH—), aliphatic thioether (—S—), disulfide (—S—S—) and 6-substituted-1,3,5-triazine-2,4-diamine; and the lanthanide ion is selected from the group consisting of europium(III), terbium(III), dysprosium(III) and samarium(III). The invention also relates to corresponding lanthanide chelates. The invention further relates to the use of the detectable molecule of the invention.

  本发明涉及一种可检测分子，其包括与发光镧系络合物结合的生物特异性结合试剂，所述发光镧系络合物包括镧系离子和配体，该配体的化学式为（I），其中，R1A和R1B独立地选自由氢、甲基、乙基、—COOH、—COO—、— COOH、— COO—、羟基或OR2组成；R2选自由—CH3、—C( )3、—C(CR4)3（其中，R4为1至6个碳原子的烷基）、— COOH、— COO−和适当的己糖残基组成；R3是用于与生物特异性结合试剂偶联的连接体，所述生物特异性结合试剂选自由硫脲（—NH—CS—NH—）、氨基乙酰胺（—NH—CO—CH2—NH—）、酰胺（—NH—CO—和—CO—NH—）、脂肪族硫醚（—S—）、二硫化物（—S—S—）和6-取代-1,3,5-三嗪-2,4-二胺组成；所述镧系离子选自欧洲铕（III）、铽（III）、镝（III）和钐（III）。本发明还涉及相应的镧系络合物，以及所述可检测分子的用途。