[2-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy}-1,1-bis-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl}-ethyl]amine | 566168-41-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 英文名称: [2-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy}-1,1-bis-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl}-ethyl]amine
• 英文别名: [2-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy}-1,1-bis-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl}ethyl]amine；[2-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy}-1,1-bis{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl}ethyl]amine；2-[1-[3-[2-amino-3-[3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy]-2-[3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl]propoxy]propylamino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione
• CAS: 566168-41-0
• 化学式: C₄₃H₆₈N₄O₉
• 分子量: 785.034
• InChiKey: UQLNPMHQZAVVSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  56.0
• 可旋转键数：
  21.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  192.22
• 氢给体数：
  4.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 [2-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy}-1,1-bis-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl}-ethyl]amine 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以2.0 g的产率得到[2-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-propoxy}-1,1-bis-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl}ethyl]isocyanate
  参考文献：
  名称：

  Highly specific, multi-branched fluorescent reporters for analysis of human neutrophil elastase

  摘要：

  人类中性粒细胞弹性蛋白酶（HNE）是一种丝氨酸蛋白酶，与急性和慢性炎症疾病的发病机制有关。在此，合成了一系列内部淬灭的单荧光团荧光探针，能够迅速、特异性强且灵敏地分析HNE活性，相对于密切相关的蛋白酶。

  DOI：

  10.1039/c3ob40212f
• 作为产物：
  描述：

  tris(cyanoethoxymethyl)aminomethane 在 硼烷四氢呋喃络合物 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 [2-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy}-1,1-bis-{3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl}-ethyl]amine
  参考文献：
  名称：

  Highly specific, multi-branched fluorescent reporters for analysis of human neutrophil elastase

  摘要：

  人类中性粒细胞弹性蛋白酶（HNE）是一种丝氨酸蛋白酶，与急性和慢性炎症疾病的发病机制有关。在此，合成了一系列内部淬灭的单荧光团荧光探针，能够迅速、特异性强且灵敏地分析HNE活性，相对于密切相关的蛋白酶。

  DOI：

  10.1039/c3ob40212f

文献信息

• OPTICAL IMAGING PROBES
  申请人：Walton Tashfeen

  公开号：US20140134110A1

  公开（公告）日：2014-05-15

  The present invention relates to methods of visualising cells especially although not exclusively in vivo using a dye, such as a dendrimer-dye molecule or polybranched-dye molecule which is internalised by the cells and thus permits subsequent visualisation by confocal fluorescence endomicroscopy or other optical detectors. There is also provided internally quenched probes for use in visualising cells especially although not exclusively in vivo by confocal fluorescence endomicroscopy and the use of internally quenched probes in combination with confocal fluorescence endomicroscopy, for visualising cells by virtue of internalisation and dequenching of a probe by the cells. In a particular embodiment the cells are activated neutrophils, such as within the lung of a subject.

  本发明涉及一种在体内使用染料（例如树枝状染料分子或多支化染料分子）来可视化细胞的方法，尤其是通过共聚焦荧光内窥镜或其他光学探测器进行可视化。还提供了用于在体内特别是通过共聚焦荧光内窥镜可视化细胞的内部熄灭探针，以及内部熄灭探针与共聚焦荧光内窥镜结合使用，通过细胞内部化和解熄灭探针来可视化细胞。在一个特定实施例中，这些细胞是激活的中性粒细胞，例如在受试者的肺内。
• Optical imaging probes
  申请人：Walton Tashfeen

  公开号：US10434191B2

  公开（公告）日：2019-10-08

  The present invention relates to methods of visualising cells especially although not exclusively in vivo using a dye, such as a dendrimer-dye molecule or polybranched-dye molecule which is internalised by the cells and thus permits subsequent visualisation by confocal fluorescence endomicroscopy or other optical detectors. There is also provided internally quenched probes for use in visualising cells especially although not exclusively in vivo by confocal fluorescence endomicroscopy and the use of internally quenched probes in combination with confocal fluorescence endomicroscopy, for visualising cells by virtue of internalisation and dequenching of a probe by the cells. In a particular embodiment the cells are activated neutrophils, such as within the lung of a subject.

  本发明涉及使用染料（如树枝状聚合物染料分子或多分支染料分子）观察细胞的方法，特别是（但不限于）在体内观察细胞的方法，这种染料被细胞内化，从而允许随后通过共焦荧光内窥镜或其他光学探测器进行观察。此外，还提供了用于观察细胞的内淬探针，特别是通过共聚焦荧光内窥镜观察细胞（尽管不完全是在体内），以及将内淬探针与共聚焦荧光内窥镜结合使用，通过细胞对探针的内化和去淬作用观察细胞。在一个特定的实施方案中，细胞是活化的中性粒细胞，如受试者肺内的中性粒细胞。
• Dendrimers and combinatorial chemistry—tools for fluorescent enhancement in protease assays
  作者：Michaël Ternon、Juan José Dı́az-Mochón、Adam Belsom、Mark Bradley

  DOI：10.1016/j.tet.2004.05.105

  日期：2004.9

  FRET based systems are some of the best methods available to detect and monitor proteolytic activity. To enhance fluorescent signals and hence assay sensitivity, two different systems were developed using two different dendrimeric constructs. In the first case, a triple branched dendrimer bearing three dansyl groups was used to enhance assay sensitivity and showed a significant enhancement of fluorescence following enzymatic cleavage. In another example, a tris-fluorescein probe, that undergoes self-quenching, was utilized in a combinatorial library synthesis to map the substrate specificity of proteases. (C) 2004 Elsevier Ltd. All rights reserved.
• Solid-phase construction: high efficiency dendrimer synthesis using AB3 isocyanate-type monomers
  作者：Sylvain Lebreton、Siew-Eng How、Monika Buchholz、Boon-Ek Yingyongnarongkul、Mark Bradley

  DOI：10.1016/s0040-4020(03)00463-0

  日期：2003.5

  Solid-phase synthesis is an ideal tool for reactions that require high concentrations and excess reagents and forcing chemical conditions. One such chemistry is that required for dendrimer construction. In this paper the synthesis of a series of symmetrical AB(3) isocyanate-type monomers is reported and used for the preparation of tri-branched dendrimers on the solid-phase. This method not only allows isolable dendrimer but can generate high-loading supports and devices for multivalent presentation. (C) 2003 Elsevier Science Ltd. All rights reserved.
• US9549997B2
  申请人：——

  公开号：US9549997B2

  公开（公告）日：2017-01-24