tert-butyl(spiro[2H-1-benzofuran-3,4'-piperidine]-5-ylmethyl)carbamic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: tert-butyl(spiro[2H-1-benzofuran-3,4'-piperidine]-5-ylmethyl)carbamic acid
• 化学式: C₁₈H₂₆N₂O₃
• 分子量: 318.4
• InChiKey: VZFYJEBJBFEQQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME
  申请人：Barany Francis

  公开号：US20140194383A1

  公开（公告）日：2014-07-10

  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.

  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。
• 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。
• SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME
  申请人：Barany Francis

  公开号：US20140163229A1

  公开（公告）日：2014-06-12

  Described herein are silyl monomers capable of forming a biologically useful multimer when in contact with one, two, three or more other monomers in an aqueous media. Such multimer forming associations of monomers may be promoted by the proximal binding of the monomers to their target biomolecule(s). 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.

  本文描述了一些硅基单体，这些单体能够在水介质中与其他单体接触时形成生物上有用的多聚体。这种多聚体形成的单体关联可以通过单体与其目标生物分子的近距离结合来促进。在一个方面，这样的单体可以在水介质（例如体内）中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配体部分、连接元素和连接配体部分和连接元素的连接器元素。在水介质中，这样的单体可以通过每个连接器元素连接在一起，因此可以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更多结合域或不同蛋白质上的结合域。
• Silyl monomers capable of multimerizing in an aqueous solution, and methods of using same
  申请人：Cornell University

  公开号：US10912786B2

  公开（公告）日：2021-02-09

  Described herein are silyl monomers capable of forming a biologically useful multimer when in contact with one, two, three or more other monomers in an aqueous media. Such multimer forming associations of monomers may be promoted by the proximal binding of the monomers to their target biomolecule(s). 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.

  本文所述的硅烷基单体在水介质中与一种、两种、三种或更多种其它单体接触时，能够形成具有生物作用的多聚体。单体与目标生物分子的近端结合可促进单体之间形成这种多聚体关联。在一个方面，这种单体可以在水介质中（如体内）与另一种单体结合形成多聚体（如二聚体）。可考虑的单体包括配体分子、连接体元件以及连接配体分子和连接体元件的连接体元件。在水性介质中，这种设想的单体可通过每个连接体元件连接在一起，因此可基本同时调节一种或多种生物分子，例如调节一种蛋白质或不同蛋白质上的两个或多个结合域。