2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-(4-oxobutylcarbamothioylamino)benzoic acid | 260783-50-4

• 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: 2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-(4-oxobutylcarbamothioylamino)benzoic acid
• CAS: 260783-50-4
• 化学式: C₂₅H₂₀N₂O₆S
• 分子量: 476.51
• InChiKey: COMMDIKKGLEQAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  157
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-(4-oxobutylcarbamothioylamino)benzoic acid 、 Man-α-ONH2 在 sodium acetate buffer 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以90%的产率得到2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-{3-[4-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxyimino)-butyl]-thioureido}-benzoic acid
  参考文献：
  名称：

  Chemoselectively Template-Assembled Glycoconjugates as Mimics for Multivalent Presentation of Carbohydrates

  摘要：

  [GRAPHICS]We report the highly efficient preparation of well-defined tetravalent glycoconjugates as potential tools for cell targeting and cell-surface mimics. Our strategy is based on chemoselective assembly of aminooxy carbohydrates to a cyclic decapeptide template presenting aldehydes, namely, a "regioselectively addressable functionalized template" (RAFT). Preliminary recognition assays of tetramannosyl glycoconjugate (20) with specific lectin (Concanavalin A) using the fluorescence anisotropy method are also reported.

  DOI：

  10.1021/ol0270935
• 作为产物：
  描述：

  Fluorescein isothiocyanate 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-(4-oxobutylcarbamothioylamino)benzoic acid
  参考文献：
  名称：

  包含用于“扩增后标记”的氨基氧基功能的三磷酸核苷的合成

  摘要：

  描述了带有带有末端氨基氧基的接头的尿苷和三磷酸腺苷 1 和 2 的制备。1 和 2 都容易与醛类荧光素衍生物 15 反应。它们都可以用 T7 RNA 聚合酶整合到 330 聚体片段中。

  DOI：

  10.1002/(sici)1099-0690(200001)2000:1<211::aid-ejoc211>3.0.co;2-v

文献信息

• NANOPARTICLES FOR DRUG DELIVERY
  申请人：Nantz Michael H.

  公开号：US20120302516A1

  公开（公告）日：2012-11-29

  The invention provides magnetic nanoparticles comprising a core, wherein the nanoparticles comprise at least one therapeutic agent linked to the core via a hydrazone linkage or via an oxime ether linkage, methods for making said nanoparticles, and methods for using said nanoparticles.

  该发明提供了磁性纳米颗粒，包括一个核心，其中纳米颗粒通过肼酰肼键或肟醚键与至少一种治疗剂连接，制备该纳米颗粒的方法以及使用该纳米颗粒的方法。
• Synthesis and Biological Evaluation of Nucleoside Triphosphates Incorporating an Oxyamino Function for “Post-amplification Labelling”
  作者：E. Trévisiol、E. Defrancq、J. Lhomme、A. Laayoun、A. Hoang、F. Besème、Ph. Cros

  DOI：10.1080/15257779908041619

  日期：1999.4

  We report a novel strategy for Post-Amplification Labelling based upon coupling nucleotide incorporating an oxyamino function with a fluorophore bearing an aldehydic group.
• [EN] NANOPARTICLES FOR DRUG DELIVERY<br/>[FR] NANOPARTICULES POUR L'ADMINISTRATION DE MÉDICAMENTS
  申请人：UNIV LOUISVILLE RES FOUND

  公开号：WO2011049972A1

  公开（公告）日：2011-04-28

  The invention provides magnetic nanoparticles comprising a core, wherein the nanoparticles comprise at least one therapeutic agent linked to the core via a hydrazone linkage or via an oxime ether linkage, methods for making said nanoparticles, and methods for using said nanoparticles.
• Synthesis of Nucleoside Triphosphates that Contain an Aminooxy Function for “Post-Amplification Labelling”
  作者：Emmanuelle Trévisiol、Eric Defrancq、Jean Lhomme、Ali Laayoun、Philippe Cros

  DOI：10.1002/(sici)1099-0690(200001)2000:1<211::aid-ejoc211>3.0.co;2-v

  日期：2000.1

  Preparation of the uridine and adenosine triphosphates 1 and 2 bearing a linker with a terminal aminooxy group is described. Both 1 and 2 react readily with the aldehydic fluorescein derivative 15. They could each be incorporated into a 330-mer fragment with T7 RNA polymerase.

  描述了带有带有末端氨基氧基的接头的尿苷和三磷酸腺苷 1 和 2 的制备。1 和 2 都容易与醛类荧光素衍生物 15 反应。它们都可以用 T7 RNA 聚合酶整合到 330 聚体片段中。
• Chemoselectively Template-Assembled Glycoconjugates as Mimics for Multivalent Presentation of Carbohydrates
  作者：Olivier Renaudet、Pascal Dumy

  DOI：10.1021/ol0270935

  日期：2003.2.1

  [GRAPHICS]We report the highly efficient preparation of well-defined tetravalent glycoconjugates as potential tools for cell targeting and cell-surface mimics. Our strategy is based on chemoselective assembly of aminooxy carbohydrates to a cyclic decapeptide template presenting aldehydes, namely, a "regioselectively addressable functionalized template" (RAFT). Preliminary recognition assays of tetramannosyl glycoconjugate (20) with specific lectin (Concanavalin A) using the fluorescence anisotropy method are also reported.