tert-butyl 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoate | 876752-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: tert-butyl 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoate
• 英文别名: 4-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-benzoic acid tert-butyl ester；Tert-butyl 4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylbenzoate；tert-butyl 4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylbenzoate
• CAS: 876752-67-9
• 化学式: C₂₅H₂₂O₅
• 分子量: 402.447
• InChiKey: BURFGMCULUDNFA-UHFFFAOYSA-N

物化性质

• 沸点：
  627.9±55.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以94%的产率得到4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoic acid
  参考文献：
  名称：

  A Cu-free clickable fluorescent probe for intracellular targeting of small biomolecules

  摘要：

  一种无铜可点击的荧光探针（FC-DBCO），用于小生物分子的细胞内靶向。

  DOI：

  10.1039/c4cc09947h
• 作为产物：
  描述：

  3-甲基-4-溴苯甲酸 在 草酰氯 、 四甲基乙二胺 、 叔丁基锂 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 tert-butyl 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylbenzoate
  参考文献：
  名称：

  A Cu-free clickable fluorescent probe for intracellular targeting of small biomolecules

  摘要：

  一种无铜可点击的荧光探针（FC-DBCO），用于小生物分子的细胞内靶向。

  DOI：

  10.1039/c4cc09947h

文献信息

• [EN] DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE<br/>[FR] SONDES FLUOROGÈNES À BASE DE DIARYLAMINE UTILISABLES EN VUE DE LA DÉTECTION DE PÉROXYNITRITE
  申请人：UNIV HONG KONG

  公开号：WO2013113279A1

  公开（公告）日：2013-08-08

  Provided herein are improved fluorogenic compounds and probes that can be used as reagents for measuring, detecting and/or screening peroxynitrite. The fluorogenic compounds of the invention can produce fluorescence colors, such as green, yellow, red, or far-red. Also provided herein are fluorogenic compounds for selectively staining peroxynitrite in the mitochondria of living cells. Provided also herein are methods that can be used to measure, directly or indirectly, the presence and/or amount of peroxynitrite in chemical samples and biological samples such as cells and tissues in living organisms. Also provided are high- throughput screening methods for detecting or screening peroxynitrite or compounds that can increase or decrease the level of peroxynitrite in chemical and biological samples.

  本发明提供了改进的氟发生化合物和探针，可用作测量、检测和/或筛选过氧亚硝酸盐的试剂。所述氟发生化合物能够产生例如绿色、黄色、红色或远红色的荧光颜色。还提供了用于选择性地对活细胞线粒体中的过氧亚硝酸盐进行染色的氟发生化合物。还提供了可用于直接或间接测量化学样品和生物样品（如活体生物的细胞和组织）中过氧亚硝酸盐的存在和/或数量的方法。还提供了用于检测或筛选过氧亚硝酸盐或能够增加或减少化学和生物样品中过氧亚硝酸盐水平的化合物的高通量筛选方法。
• DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE
  申请人：The University Of Hong Kong

  公开号：EP3431480A1

  公开（公告）日：2019-01-23

  Provided herein are improved fluorogenic compounds and probes that can be used as reagents for measuring, detecting and/or screening peroxynitrite. The fluorogenic compounds of the invention can produce fluorescence colors, such as green, yellow, red, or far-red. Also provided herein are fluorogenic compounds for selectively staining peroxynitrite in the mitochondria of living cells. Provided also herein are methods that can be used to measure, directly or indirectly, the presence and/or amount of peroxynitrite in chemical samples and biological samples such as cells and tissues in living organisms. Also provided are high-throughput screening methods for detecting or screening peroxynitrite or compounds that can increase or decrease the level of peroxynitrite in chemical and biological samples.

  本发明提供了改进的致氟化合物和探针，可用作测量、检测和/或筛选过亚硝酸盐的试剂。本发明的致氟化合物可产生荧光颜色，如绿色、黄色、红色或远红色。本文还提供了用于选择性染色活细胞线粒体中过亚硝酸的含氟化合物。本文还提供了可用于直接或间接测量化学样品和生物样品（如活生物体的细胞和组织）中过亚硝酸的存在和/或数量的方法。本文还提供了高通量筛选方法，用于检测或筛选化学和生物样品中的过亚硝酸盐或可提高或降低过亚硝酸盐水平的化合物。
• Creation of Superior Carboxyfluorescein Dyes by Blocking Donor-Excited Photoinduced Electron Transfer
  作者：Tomoko Mineno、Tasuku Ueno、Yasuteru Urano、Hirotatsu Kojima、Tetsuo Nagano

  DOI：10.1021/ol0623926

  日期：2006.12.1

  Carboxyfluoresceins are widely utilized as fluorescence labeling reagents, but we recently found that their emission intensity is markedly decreased after esterification. On the basis of our hypothesis that the fluorescence decrease is due to a donor- excited photoinduced electron transfer (d- PeT) process, we have developed novel carboxyfluorescein derivatives in which the d- PeT process is hampered, and the emission intensity is not decreased upon esterification. These novel dye derivatives display high quantum yields and are expected to be useful as labeling agents.
• US9651528B2
  申请人：——

  公开号：US9651528B2

  公开（公告）日：2017-05-16
• A Cu-free clickable fluorescent probe for intracellular targeting of small biomolecules
  作者：Kento Yamagishi、Kazuaki Sawaki、Atsushi Murata、Shinji Takeoka

  DOI：10.1039/c4cc09947h

  日期：——

  A Cu-free clickable fluorescent probe (FC-DBCO) for intracellular targeting of small biomolecules.

  一种无铜可点击的荧光探针（FC-DBCO），用于小生物分子的细胞内靶向。