[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] carbamic acid tert-butyl ester | 566168-37-4

• 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: [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] carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[1,3-bis[3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxy]-2-[3-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]propoxymethyl]propan-2-yl]carbamate
• CAS: 566168-37-4
• 化学式: C₄₈H₇₆N₄O₁₁
• 分子量: 885.152
• InChiKey: VESZORZROKUHHQ-UHFFFAOYSA-N

物化性质

• 沸点：
  962.2±65.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.94
• 重原子数：
  63.0
• 可旋转键数：
  22.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  204.53
• 氢给体数：
  4.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  [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] carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 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
• 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 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 5.0h， 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] carbamic acid tert-butyl ester
  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

• [EN] MOLECULAR PROBES FOR DETECTING GRAM-NEGATIVE BACTERIA IN VITRO AND IN VIVO<br/>[FR] SONDES MOLÉCULAIRES POUR DÉTECTER DES BACTÉRIES GRAM NÉGATIF IN VITRO ET IN VIVO
  申请人：UNIV EDINBURGH

  公开号：WO2016075483A1

  公开（公告）日：2016-05-19

  A probe is provided comprising a label and a binding moiety, wherein the binding moiety is adapted to bind to gram-negative bacteria, and to substantially not bind to animal cells or gram-positive bacteria. A method of detecting the presence of bacteria in a target area is also provided, which allows the detection of bacteria generally, and the determination of whether that bacteria is gram negative or gram positive.

  提供一种探针，包括一个标签和一个结合基团，其中结合基团适用于结合革兰氏阴性细菌，并且基本不结合动物细胞或革兰氏阳性细菌。还提供了一种检测目标区域中细菌存在的方法，该方法允许通常检测细菌，并确定该细菌是革兰氏阴性还是革兰氏阳性。
• [EN] OPTICAL PROBE FOR THROMBIN<br/>[FR] SONDE OPTIQUE POUR THROMBINE
  申请人：UNIV COURT UNIV OF EDINBURGH

  公开号：WO2016151297A1

  公开（公告）日：2016-09-29

  Optical probes are presented, the probes comprising a first probe element, and a second probe element connected to a core. The first probe element comprises a first fluorophore connected to a first quencher by a first cleavable linker. The second probe element comprises a second fluorophore connected to a second quencher by a second cleavable linker. The first fluorophore is separated from the first quencher when the first cleavable linker is cleaved, and the second fluorophore is separated from the second quencher when the second cleavable linker is cleaved. Methods of detecting a first and second enzyme using the optical probe are also presented.

  光学探针包括第一探针元件和连接到核心的第二探针元件。第一探针元件包括第一荧光素通过第一可切割连接剂连接到第一猝灭剂。第二探针元件包括第二荧光素通过第二可切割连接剂连接到第二猝灭剂。当第一可切割连接剂被切割时，第一荧光素与第一猝灭剂分离，当第二可切割连接剂被切割时，第二荧光素与第二猝灭剂分离。还提供了使用光学探针检测第一和第二酶的方法。
• 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。
• [EN] FRET MOLECULAR PROBES WITH CLEAVABLE LINKERS FOR DETECTING BACTERIA AND/OR FUNGI IN VITRO AND IN VIVO<br/>[FR] SONDES MOLÉCULAIRES FRET AVEC LIEURS CLIVABLES PERMETTANT DE DÉTECTER DES BACTÉRIES ET/OU DES CHAMPIGNONS, IN VITRO ET IN VIVO
  申请人：UNIV EDINBURGH

  公开号：WO2016075481A1

  公开（公告）日：2016-05-19

  An optical probe is provided comprising a probe element connected to a quencher by a cleavable linker; the probe element comprising a binding moiety, and a fluorophore being substantially fluorescently quenched by the quencher when the probe element is connected to the quencher by the cleavable linker; wherein the probe element is separated from the quencher when the cleavable linker is cleaved. Methods of using the probe are also provided.

  提供了一种光学探针，包括通过可切割连接物连接到猝灭剂的探针元件；所述探针元件包括结合基团和荧光物质，当通过可切割连接物将探针元件连接到猝灭剂时，荧光物质被猝灭剂大幅熄灭荧光；当可切割连接物被切割时，探针元件与猝灭剂分离。还提供了使用该探针的方法。
• 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。