BH(2,2)IAM | 288099-66-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: BH(2,2)IAM
• 英文别名: Lumi4；48,49,63,64-tetrahydroxy-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9(63),10,12,26,28,30(49),39(48),40,42,54,56,58(64)-dodecaene-8,14,25,31,38,44,53,59-octone
• CAS: 288099-66-1
• 化学式: C₅₂H₆₄N₁₂O₁₂
• 分子量: 1049.15
• InChiKey: BFHZCYHQVUGLBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  76
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  327
• 氢给体数：
  12
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  terbium(III) chloride hexahydrate 、 BH(2,2)IAM 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Complexes and Ligands

  摘要：

  本申请提供了配体和包括这些配体的荧光或发光配合物。

  公开号：

  US20220025254A1
• 作为产物：
  描述：

  dimethyl 2-methoxyisophthalate 在 2,6-二甲基吡啶 、 (benzotriazole-1-yloxy)tris(pyrrolidino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 potassium hydroxide 、 lithium iodide 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 BH(2,2)IAM
  参考文献：
  名称：

  Complexes and Ligands

  摘要：

  本申请提供了配体和包括这些配体的荧光或发光配合物。

  公开号：

  US20220025254A1

文献信息

• [EN] MACROCYCLIC HOPO CHELATORS<br/>[FR] CHÉLATEURS HOPO MACROCYCLIQUES
  申请人：LUMIPHORE INC

  公开号：WO2011025790A1

  公开（公告）日：2011-03-03

  The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds comprise hydroxypyridinonyl moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability.

  本发明提供了一种新型的大环化合物类别，以及由金属离子（例如，镧系元素）与本发明的化合物形成的配合物。首选的配合物在水介质中表现出高稳定性，以及镧系离子的发光量子产率高，而无需辅助激活剂。首选的化合物包括其大环结构中的羟基吡啶酮基团，并以对多种多肽（如抗体和蛋白质）的非特异性结合惊人地低以及高动力学稳定性为特征。
• Octadentate Cages of Tb(III) 2-Hydroxyisophthalamides: A New Standard for Luminescent Lanthanide Labels
  作者：Jide Xu、Todd M. Corneillie、Evan G. Moore、Ga-Lai Law、Nathaniel G. Butlin、Kenneth N. Raymond

  DOI：10.1021/ja2079898

  日期：2011.12.14

  Once the ligand is deprotected, a conformational change generates a similar cavity, formed by the phenolate and ortho amide oxygen groups that strongly bind lanthanide ions. The Tb(III) complexes thus formed display long-term stability, with little if any change in their spectral properties (including lifetime, quantum yield, and emission spectrum) over time or in different chemical environments. Procedures

  报道了几种 Tb(III) 配合物与八齿大三环配体的合成、结构和光物理特性，这些配体具有双封端拓扑结构和 2-羟基间苯二甲酰胺 (IAM) 螯合单元。这些 Tb(III) 配合物表现出高效发射 (Φ(total) ≥ 50%)、大消光系数 (ε(max) ≥ 20,000 M(-1) cm(-1)) 和长发光寿命 (τ(H (2)O) ≥ 2.45 ms) 在标准生物缓冲液中的稀释浓度。通过单晶 X 射线衍射确定了甲基保护的配体的结构，并证实了母体配体的大三环结构；甲基保护的笼状化合物的酰胺基团产生一个阴离子结合腔，与氯阴离子复合。一旦配体去保护，构象变化会产生一个类似的空腔，由苯酚和邻酰胺氧基团形成，它们与镧系元素离子强烈结合。由此形成的 Tb(III) 配合物显示出长期稳定性，它们的光谱特性（包括寿命、量子产率和发射光谱）随着时间的推移或在不同的化学环境中几乎没有变化。还开发了制备具有末端胺、羧酸盐和
• LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES
  申请人：Raymond Kenneth N.

  公开号：US20080213917A1

  公开（公告）日：2008-09-04

  The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds incorporate hydroxy-isophthalamide moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability. These characteristics distinguish them from known, open-structured ligands.

  本发明提供了一种新的大环化合物类别，以及由金属（例如镧系金属）离子和本发明中化合物形成的配合物。首选的配合物在水介质中表现出高稳定性以及高量子产率的镧系离子发光特性，无需使用次级活化剂。首选化合物在其大环结构中包含羟基异苯酰胺基团，并以惊人的低非特异性结合多种多肽（如抗体和蛋白质）以及高动力学稳定性为特征。这些特征使它们与已知的开放结构配体有所区别。
• MACROCYCLIC HOPO CHELATORS
  申请人：Butlin Nathaniel G.

  公开号：US20120214253A1

  公开（公告）日：2012-08-23

  The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds comprise hydroxypyridinonyl moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability.

  本发明提供了一类新型的大环化合物，以及由金属（例如镧系金属）离子和本发明中的化合物形成的络合物。优选的络合物在无需次级活化剂的情况下，具有高稳定性和高量子产率的镧系离子荧光。优选的化合物在它们的大环结构中包括羟基吡啶酮基团，并且其特点是与各种多肽（如抗体和蛋白质）具有惊人的低非特异性结合和高动力学稳定性。
• Luminescent macrocyclic lanthanide complexes
  申请人：The Regents of The University of California

  公开号：EP2423201A1

  公开（公告）日：2012-02-29

  The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds incorporate hydroxy-isophthalamide moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability. These characteristics distinguish them from known, open-structured ligands.

  本发明提供了一类新型大环化合物以及金属（如镧系元素）离子与本发明化合物之间形成的配合物。优选的配合物在水介质中表现出高稳定性和高镧系离子发光量子产率，无需使用二级活化剂。优选化合物的大环结构中含有羟基-间苯二甲酰胺基团，其特点是与抗体和蛋白质等多种多肽的非特异性结合率低得出奇，并且具有很高的动力学稳定性。这些特点将它们与已知的开放结构配体区分开来。