4-羧甲基-6,7-亚甲二氧基香豆素 | 97744-77-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 中文名称: 4-羧甲基-6,7-亚甲二氧基香豆素
• 英文名称: 2-(6-oxo-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)acetic acid
• 英文别名: 4-(carboxymethyl)-6,7-methylenedioxy-coumarin；4-Carboxymethyl-6,7-methylenedioxycoumarin；2-(6-oxo-[1,3]dioxolo[4,5-g]chromen-8-yl)acetic acid
• CAS: 97744-77-9
• 化学式: C₁₂H₈O₆
• 分子量: 248.192
• InChiKey: PIHRLFGNZWHKIO-UHFFFAOYSA-N

物化性质

• 熔点：
  195 °C
• 沸点：
  508.4±50.0 °C(Predicted)
• 密度：
  1.566±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-羧甲基-6,7-亚甲二氧基香豆素 在 4-二甲氨基吡啶 、 三溴化硼 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 4-(2-(4-(3-(aminomethyl)phenyl)piperidin-1-yl)-2-oxoethyl)-6,7-dihydroxy-2H-chromen-2-one trifluoroacetate
  参考文献：
  名称：

  MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME

  摘要：

  本发明描述了在水中介质中与一个、两个、三个或更多其他单体接触时能够形成具有生物学用途的多聚体的单体。在一方面，这样的单体可能能够在水介质中（例如，体内）与另一个单体结合形成多聚体（例如，二聚体）。考虑的单体可能包括一个配体部分、一个连接元素和一个连接器元素，连接器元素连接配体部分和连接元素。在水介质中，这样的考虑单体可能通过每个连接元素相互连接，因此可能能够实质上同时调节一个或多个生物分子，例如，调节蛋白质上的两个或多个结合域，或者调节不同蛋白质上的结合域。

  公开号：

  US20140194383A1

文献信息

• COFLUORONS AND METHODS OF MAKING AND USING THEM
  申请人：Barany Francis

  公开号：US20140161729A1

  公开（公告）日：2014-06-12

  The present invention is directed to method of using a collection of monomers capable of forming multimers as a fluorescence reporter in different applications such as ligand detection/screening, disease diagnosis, drug discovery or screening, fluorescent labeling and imaging, or other fluorescent methodologies. Each monomer in the collection includes one or more ligand elements useful for binding to a target molecule with a dissociation constant of less than 300 μM and a linker element connected to the ligand elements directly or indirectly through a connector. Association of linker elements of different combinations of monomers, with their ligand elements bound to the target molecule to form a multimer, will generate a unique fluorescent signature different from that produced by those monomers either alone or in association with each other in the absence of the target molecule, when subjected to electromagnetic excitement.

  本发明涉及使用一组能够形成多聚体的单体作为荧光报告物在不同应用中的方法，例如配体检测/筛选、疾病诊断、药物发现或筛选、荧光标记和成像，或其他荧光方法学。该组合中的每个单体均包括一个或多个配体元素，用于与解离常数小于300μM的靶分子结合，并且连接到配体元素的连接器通过直接或间接连接到配体元素。不同单体组合的连接器元素与其配体元素结合到靶分子形成多聚体，将产生一种独特的荧光特征，与那些单体单独或在没有靶分子的情况下相互结合时产生的荧光特征不同，当受到电磁激发时。
• Synthesis, structure and DNA cleavage studies of coumarin analogues of tetrahydroisoquinoline and protoberberine alkaloids
  作者：Vithal B. Jadhav、Susanta K. Nayak、T.N. Guru Row、M.V. Kulkarni

  DOI：10.1016/j.ejmech.2010.04.041

  日期：2010.9

  Novel molecular matrices have been derived from coumarin-4-acetic acids and β-phenylethylamines using the Bischler–Napieralski protocol which has led to the synthesis of analogues of tetrahydropapaverine in which the dimethoxybenzene moiety has been replaced by substituted coumarins. One carbon homologation has led to cyclization at the C3 position of coumarin generating the protoberberine skeleton

  使用Bischler-Napieralski协议已从香豆素-4-乙酸和β-苯乙胺衍生出新型分子基质，该协议已合成四氢罂粟碱的类似物，其中二甲氧基苯部分已被取代的香豆素取代。一种碳同源性导致香豆素的C3位置环化，生成原小ber碱骨架。通过衍射研究已经确认了结构。结果表明，化合物6e，6f，7e和7f对革兰氏阳性菌金黄色葡萄球菌和黑曲霉的DNA样品十分有效。
• Quantitative screening of EGF receptor-binding peptides by using a peptide library with multiple fluorescent amino acids as fluorescent tags
  作者：Mizuki Kitamatsu、Takahiro Yamamoto、Midori Futami、Masahiko Sisido

  DOI：10.1016/j.bmcl.2010.08.078

  日期：2010.10

  EGF receptor-binding peptides could be found by a peptide screening method using fifteen fluorescent amino acids as fluorescent tags. Of 225 peptides, we found an 8-mer peptide containing a dipeptide unit, Y-F, which was the strongest binding peptide to the EGF receptor. (c) 2010 Elsevier Ltd. All rights reserved.
• [EN] COFLUORONS AND METHODS OF MAKING AND USING THEM<br/>[FR] COFLUORONS ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：UNIV CORNELL

  公开号：WO2012154213A1

  公开（公告）日：2012-11-15

  The present invention is directed to method of using a collection of monomers capable of forming multimers as a fluorescence reporter in different applications such as ligand detection/screening, disease diagnosis, drug discovery or screening, fluorescent labeling and imaging, or other fluorescent methodologies. Each monomer in the collection includes one or more ligand elements useful for binding to a target molecule with a dissociation constant of less than 300 μΜ and a linker element connected to the ligand elements directly or indirectly through a connector. Association of linker elements of different combinations of monomers, with their ligand elements bound to the target molecule to form a multimer, will generate a unique fluorescent signature different from that produced by those monomers either alone or in association with each other in the absence of the target molecule, when subjected to electromagnetic excitement.
• [EN] MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME<br/>[FR] MONOMÈRES APTES À DIMÉRISER DANS UNE SOLUTION AQUEUSE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV CORNELL

  公开号：WO2013058824A1

  公开（公告）日：2013-04-25

  Described herein are monomers capable of forming a biologically useful multimer when in contact with one, two, three or more other monomers in an aqueous media. In one aspect, such monomers may be capable of binding to another monomer in an aqueous media (e.g. in vivo) to form a multimer, (e.g. a dimer). Contemplated monomers may include a ligand moiety, a linker element, and a connector element that joins the ligand moiety and the linker element. In an aqueous media, such contemplated monomers may join together via each linker element and may thus be capable of modulating one or more biomolecules substantially simultaneously, e.g., modulate two or more binding domains on a protein or on different proteins.