1,14,39,40,41,42,43,44-Octaazaoctacyclo<12.12.12^1,14.1^3,7.1^8,12.1^16,20.1^21,25.1^28,32.1^33,37>tetratetraconta-3(39),4,6,8(40),9,11,16(42),17,19,21(41),22,24,28(43),29,31,33(44),34,36-octadecaen | 96517-93-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,14,39,40,41,42,43,44-Octaazaoctacyclo<12.12.12^1,14.1^3,7.1^8,12.1^16,20.1^21,25.1^28,32.1^33,37>tetratetraconta-3(39),4,6,8(40),9,11,16(42),17,19,21(41),22,24,28(43),29,31,33(44),34,36-octadecaen
• 英文别名: 1,14,39,40,41,42,43,44-octaazaoctacyclo-{12.12.12.(1,14).1(3,7).1(8,12).1(16,20).1(21,25).1(28,32).1(33,37)}-tetratetraconto-3(39),4,6,8(40),9,11,16(42),17,19,21(41),22,24,28(43),29,31,33(44),34,36-octadecanene；1,14,39,40,41,42,43,44-Octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene
• CAS: 96517-93-0
• 化学式: C₃₆H₃₀N₈
• 分子量: 574.688
• InChiKey: SSWHULXVVVIJLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  RuCl2(DMSO)4 、 1,14,39,40,41,42,43,44-Octaazaoctacyclo<12.12.12^1,14.1^3,7.1^8,12.1^16,20.1^21,25.1^28,32.1^33,37>tetratetraconta-3(39),4,6,8(40),9,11,16(42),17,19,21(41),22,24,28(43),29,31,33(44),34,36-octadecaen 以 乙醇 、 水 为溶剂， 生成 RuCl2*1,14,39,40,41,42,43,44-octaazaoctacyclo-{12.12.12(1,14).1(3,7).1(8,12).1(16,20).1(21,25).1(28,32).1(33,37)}-tetratetraconto-3(39),4,6,8(40),9,11,16(42),17,19,21(41),22,24,28(43),29,31,33(44),34,36-octadecanene
  参考文献：
  名称：

  Duerr, Heinz; Zengerle, Klaus; Trierweiler, Hans-Peter, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1988, vol. 43, # 3, p. 361 - 368

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(溴甲基)-6-[6-(溴甲基)吡啶-2-基]吡啶 在 硫酸 、 sodium methylate 、 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 55.0h， 生成 1,14,39,40,41,42,43,44-Octaazaoctacyclo<12.12.12^1,14.1^3,7.1^8,12.1^16,20.1^21,25.1^28,32.1^33,37>tetratetraconta-3(39),4,6,8(40),9,11,16(42),17,19,21(41),22,24,28(43),29,31,33(44),34,36-octadecaen
  参考文献：
  名称：

  Duerr, Heinz; Zengerle, Klaus; Trierweiler, Hans-Peter, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1988, vol. 43, # 3, p. 361 - 368

  摘要：

  DOI：

文献信息

• LANTHANIDE METAL-ORGANIC FRAMEWORKS AND USES THEREOF
  申请人：Petoud Ptéphane

  公开号：US20100072424A1

  公开（公告）日：2010-03-25

  Metal-organic frameworks (MOFs) are crystalline porous materials that include metal ions linked together into periodic structures via organic ligands. MOFs that contain lanthanide ions are a new class of visible and near-IR luminescent materials, suitable for a broad range of applications. For example, the MOF framework afforded by 2,5-dimethoxy-1,4-phenylene)di-2,1-ethenediyl]bis-carboxylate is associated with unusually long luminescence lifetimes. Thus, a complex of this ligand with a lanthanide provides a sharp emission profile, coupled with a comparatively long signal lifetime, for an unusually high luminescence. More generally, lanthanide-MOF systems exhibit several advantages that are ideal for barcoded materials, due to the photophysical attributes of lanthanide cations and the well-defined organization of the MOF structure.

  金属有机框架（MOFs）是由金属离子通过有机配体链接成周期结构的晶体多孔材料。包含镧系离子的MOFs是一种新型的可见光和近红外发光材料，适用于广泛的应用。例如，由2,5-二甲氧基-1,4-苯基）二-2,1-乙烯二酸的MOF框架与异常长的发光寿命相关。因此，这种配体与镧系离子的复合物提供了一个锐利的发射谱线，加上相对较长的信号寿命，产生了异常高的发光强度。更普遍地说，镧系-MOF系统具有多种优点，非常适合于条形码材料，这是由于镧系阳离子的光物理属性和MOF结构的良好定义组织。
• Spectroscopic Method For the Detection of Analytes
  申请人：Sellrie Frank

  公开号：US20080199972A1

  公开（公告）日：2008-08-21

  The present invention relates to methods for the detection of one or more analytes, in particular pathogens, viruses, prions, bacteria, parasites, pharmaceuticals, antibiotics, cytostatics, psychoactive substances, narcotics, analgesics, cardiac drugs, metabolites, coagulation inhibitors, hormones, interleukins and cytokines, performance-enhancing drugs, drugs, toxins, noxious substances, pesticides, insecticides, wood preservatives, herbicides, fungicides, explosives, vitamins and flavors by providing a conjugate of the analyte and an europium cryptate fluorophore or respectively a terbium cryptate fluorophore together with an antibody which is specific for the analyte and an antibody which is specific for the europium cryptate fluorophore or respectively the terbium cryptate fluorophore and by spectroscopically determining the fluorescence quenching which occurs when the analyte is added. Furthermore the present invention relates to conjugates of the analyte and the europium cryptate fluorophore or respectively terbium cryptate fluorophore as well as to a kit for the detection of analytes.
• ELECTROCHEMILUMINESCENCE OF RARE EARTH METAL CHELATES
  申请人：Yang Hongjun

  公开号：US20090197349A1

  公开（公告）日：2009-08-06

  Luminescent chemical reagents that include complexes of rare earth metals with ligands such as aromatic heterocyclic nitrogen-containing compounds and semi-aromatic oxygen-containing compounds are used to detect small quantities of complex substances such as pharmaceuticals, metabolites, and microorganisms in complex sample mixtures.
• BACKGROUND BLOCKERS FOR BINDING ASSAYS
  申请人：RADIOMETER TURKU OY

  公开号：US20210140970A1

  公开（公告）日：2021-05-13

  The present invention relates to a background blocking concept for use in time-resolved fluorometry binding assays. More particular, the invention relates to a binding assay and a kit involving the use of the same or similar chelating ligand in lanthanide chelate-labelled analyte-specific biomolecules and as or in a background blocking agent.
• US7494820B2
  申请人：——

  公开号：US7494820B2

  公开（公告）日：2009-02-24