3-butoxy-4-(N-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidenemethyl)-3-cyclobutene-1,2-dione | 616232-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-butoxy-4-(N-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidenemethyl)-3-cyclobutene-1,2-dione
• 英文别名: 3-Butoxy-4-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidenmethyl)-3-cyclobutene-1,2-dione；3-butoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]cyclobut-3-ene-1,2-dione
• CAS: 616232-58-7
• 化学式: C₁₇H₁₇NO₃S
• 分子量: 315.393
• InChiKey: HCHHGOSUCDEACD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(6-iodohexyl)-2-methylbenzothiazolium iodide 、 3-butoxy-4-(N-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidenemethyl)-3-cyclobutene-1,2-dione 以 甲苯 、 正丁醇 为溶剂， 反应 10.0h， 以12%的产率得到2-[[3-(6-Iodohexyl)-1,3-benzothiazol-2-ylidene]methyl]-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-oxocyclobuten-1-olate
  参考文献：
  名称：

  Fluorinated squaraine as near-IR label with improved properties for the labeling of oligonucleotides

  摘要：

  A new squaraine dye with fluorinated benzothiazole rings was synthesized. This new label possesses improved photophysical properties and chemical stability as compared to the corresponding non-fluorinated and the dicyanosquaraines. These squaraines were used for the labeling of a series of oligonucleotides with various sequences, lengths, and chemistries. The conjugates involving the fluorinated squaraine possess the best properties: emission wavelength >670 nm, high quantum yields (0.27-0.39). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.029
• 作为产物：
  描述：

  方酸二正丙酯 、 2,3-二甲基苯并噻唑鎓碘化物 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以40%的产率得到3-butoxy-4-(N-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidenemethyl)-3-cyclobutene-1,2-dione
  参考文献：
  名称：

  Fluorinated squaraine as near-IR label with improved properties for the labeling of oligonucleotides

  摘要：

  A new squaraine dye with fluorinated benzothiazole rings was synthesized. This new label possesses improved photophysical properties and chemical stability as compared to the corresponding non-fluorinated and the dicyanosquaraines. These squaraines were used for the labeling of a series of oligonucleotides with various sequences, lengths, and chemistries. The conjugates involving the fluorinated squaraine possess the best properties: emission wavelength >670 nm, high quantum yields (0.27-0.39). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.029

文献信息

• VISCOSITY-SENSITIVE DYES AND METHOD
  申请人：SETA BioMedicals, LLC

  公开号：US20160091495A1

  公开（公告）日：2016-03-31

  Disclosed viscosity-sensitive reporter compounds and methods allow tracing the changes in viscosity in a biological sample/environment (e.g., in medical, biochemical, biological, and/or pharmaceutical applications). Compounds and methods of the present disclosure can be used to identify the localization and the rheological state of hydrogels, their degradation products and other biostructural materials, including surgical implants, as well as the effectiveness of drug delivery by hydrogel carriers.

  公开的粘度敏感报告化合物和方法可追踪生物样品/环境中粘度的变化（例如，在医学、生化、生物和/或制药应用中）。本公开的化合物和方法可用于确定水凝胶的定位和流变状态、它们的降解产物和其他生物结构材料（包括手术植入物）以及水凝胶载体的药物传递效果。