methyl 2-(1-hydroxy-10-oxo-10H-benzo[c]xanthen-7-yl)benzoate | 1380077-21-3

• 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: methyl 2-(1-hydroxy-10-oxo-10H-benzo[c]xanthen-7-yl)benzoate
• CAS: 1380077-21-3
• 化学式: C₂₅H₁₆O₅
• 分子量: 396.399
• InChiKey: GRMXSDGXLKABKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  30.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  76.74
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  荧光素 在 甲烷磺酸 、 硫酸 、 三氟乙酸 、 sodium hydroxide 作用下， 反应 48.0h， 生成 methyl 2-(1-hydroxy-10-oxo-10H-benzo[c]xanthen-7-yl)benzoate
  参考文献：
  名称：

  ANALYTE DETECTION USING NEAR-INFRARED FLUOROPHORES

  摘要：

  公开了用于选择性检测分析物的化合物实施例，以及使用这些化合物检测分析物的方法和试剂盒。这些化合物是包括至少一种荧光团的桥联紫罗兰类化合物，其一般结构如下：至少有R1/R2、R2/R3、R3/R4、R5/R6、R6/R7和/或R7/R8中的至少一对形成取代或未取代的环烷基或芳基。

  公开号：

  US20160223558A1

文献信息

• NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS
  申请人：Strongin Robert Michael

  公开号：US20140120628A1

  公开（公告）日：2014-05-01

  Embodiments of near-infrared (NIR) dyes are disclosed, along with methods and kits for detecting analytes with the NIR dyes. The NIR dyes have a structure according to the general structure At least one of R 1 /R 2 , R 2 /R 3 , R 3 /R 4 , R 5 /R 6 , R 6 /R 7 , and/or R 7 /R 8 together forms a substituted or unsubstituted cycloalkyl or aryl.

  本发明公开了近红外（NIR）染料的实施例，以及用于使用NIR染料检测分析物的方法和试剂盒。 NIR染料具有以下一般结构中的结构： 至少其中之一的R1 / R2，R2 / R3，R3 / R4，R5 / R6，R6 / R7和/或R7 / R8形成被取代或未取代的环烷基或芳基。
• Molecular probes for detection and imaging of pancreatic cancer
  申请人：Portland State University

  公开号：US11191850B2

  公开（公告）日：2021-12-07

  Molecular probes for detecting and imaging pancreatic cancer are disclosed. The probes are modified benzoxanthene fluorophores, which are selectively taken up by pancreatic cancer cells, such as pancreatic ductal adenocarcinoma cells. Embodiments of the disclosed probes are useful for pancreatic cancer detection, therapeutic monitoring, and/or image-guided surgery.

  本研究公开了用于胰腺癌检测和成像的分子探针。这些探针是经修饰的苯并氧杂蒽荧光团，可被胰腺癌细胞（如胰腺导管腺癌细胞）选择性吸收。所公开探针的实施方案可用于胰腺癌检测、治疗监测和/或图像引导手术。
• Field Effects Induce Bathochromic Shifts in Xanthene Dyes
  作者：Martha Sibrian-Vazquez、Jorge O. Escobedo、Mark Lowry、Frank R. Fronczek、Robert M. Strongin

  DOI：10.1021/ja302445w

  日期：2012.6.27

  There is ongoing interest in near-infrared (NIR) absorbing and emitting dyes for a variety of biomedical and materials applications. Simple and efficient synthetic procedures enable the judicious tuning of through-space polar (field) effects as well as low barrier hydrogen bonding to modulate the HOMO-LUMO gap in xanthene dyes. This affords unique NIR-absorbing xanthene chromophores.
• MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER
  申请人：Portland State University

  公开号：US20200330612A1

  公开（公告）日：2020-10-22

  Molecular probes for detecting and imaging pancreatic cancer are disclosed. The probes are modified benzoxanthene fluorophores, which are selectively taken up by pancreatic cancer cells, such as pancreatic ductal adenocarcinoma cells. Embodiments of the disclosed probes are useful for pancreatic cancer detection, therapeutic monitoring, and/or image-guided surgery.
• US9250246B2
  申请人：——

  公开号：US9250246B2

  公开（公告）日：2016-02-02