N-tris{[2-(tert-butoxycarbonyl)ethoxy]methyl}methyl trifluoroacetamide | 1108750-63-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-tris{[2-(tert-butoxycarbonyl)ethoxy]methyl}methyl trifluoroacetamide
• 英文别名: Tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate
• CAS: 1108750-63-5
• 化学式: C₂₇H₄₆F₃NO₁₀
• 分子量: 601.658
• InChiKey: FNGMLPIBNDAUAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  41
• 可旋转键数：
  22
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  N-tris{[2-(tert-butoxycarbonyl)ethoxy]methyl}methyl trifluoroacetamide 在 甲酸 作用下， 以 水 为溶剂， 反应 18.0h， 以100%的产率得到N-Tris{[2-carboxyethoxy]methyl}methyl trifluoroacetamide
  参考文献：
  名称：

  [EN] DRUG TRANSFER BASED ON COENZYME A AND ACYL CARRIER PROTEIN
  [FR] TRANSFERT DE MÉDICAMENTS BASÉ SUR UNE COENZYME A ET UNE PROTÉINE-SUPPORT ACYLE

  摘要：

  该发明涉及携带一种或多种药物实体的辅酶A（CoA）型化合物，以及可由荧光探测器、磁共振成像（MRI）、正电子发射断层扫描（PET）或闪烁扫描仪检测的标签，和/或可转化为药物或可检测标签的功能基团。该发明还涉及一种分子穿梭机，它是一种融合蛋白，包括定向到靶标的蛋白质结合实体和一种酰载体蛋白（ACP）或其片段，并携带一种或多种药物实体。蛋白质结合实体设计用于在体外或体内结合到靶标结构，例如细胞受体。

  公开号：

  WO2009043900A1
• 作为产物：
  描述：

  三氟乙酸乙酯 、 三[[2-(叔-丁氧羰基)乙氧基]甲基]甲胺 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成 N-tris{[2-(tert-butoxycarbonyl)ethoxy]methyl}methyl trifluoroacetamide
  参考文献：
  名称：

  [EN] DRUG TRANSFER BASED ON COENZYME A AND ACYL CARRIER PROTEIN
  [FR] TRANSFERT DE MÉDICAMENTS BASÉ SUR UNE COENZYME A ET UNE PROTÉINE-SUPPORT ACYLE

  摘要：

  该发明涉及携带一种或多种药物实体的辅酶A（CoA）型化合物，以及可由荧光探测器、磁共振成像（MRI）、正电子发射断层扫描（PET）或闪烁扫描仪检测的标签，和/或可转化为药物或可检测标签的功能基团。该发明还涉及一种分子穿梭机，它是一种融合蛋白，包括定向到靶标的蛋白质结合实体和一种酰载体蛋白（ACP）或其片段，并携带一种或多种药物实体。蛋白质结合实体设计用于在体外或体内结合到靶标结构，例如细胞受体。

  公开号：

  WO2009043900A1

文献信息

• Drug Transfer into Living Cells
  申请人：Brecht Andreas

  公开号：US20110014196A1

  公开（公告）日：2011-01-20

  The invention relates to compounds comprising a plurality of enzyme substrates suitably linked and further carrying one or more cargo entities. In particular such compounds have the structure (substrate) n -linker-(cargo) m wherein “substrate” is a substrate specific for an enzyme-type protein; n is 2 or more; “linker” is a linking unit consisting of 1 to 300 atoms; “cargo” is a drug, a label detectable by a fluorescence detector, magnetic resonance imaging (MRI), positron emission tomography (PET) or scintigraphy, or a functional group which can be transformed into a drug or a detectable label; and m is 1 or more. The invention further relates to a corresponding molecular shuttles having the structure (fusion protein) n -linker-(cargo) m wherein “fusion protein” is a proteinaceous binding entity fused to an enzyme-type protein for which specific substrates exist. The proteinaceous binding entity is designed to bind to a target structure in vitro or in vivo, for example a cellular receptor.

  该发明涉及包含多个酶底物的化合物，适当连接并进一步携带一个或多个载体实体。特别是这种化合物具有结构（底物）n-连接物-（载体）m，其中“底物”是特异于酶型蛋白质的底物；n为2或更多；“连接物”是由1至300个原子组成的连接单元；“载体”是一种药物，可被荧光探测器、核磁共振成像（MRI）、正电子发射断层扫描（PET）或闪烁摄影法检测的标记，或者是可转化为药物或可检测标记的功能基团；m为1或更多。该发明还涉及具有结构（融合蛋白）n-连接物-（载体）m的相应分子穿梭体，其中“融合蛋白”是与存在特定底物的酶型蛋白质融合的蛋白质结合实体。蛋白质结合实体设计用于在体外或体内结合到目标结构，例如细胞受体。
• SELF COUPLING RECOMBINANT ANTIBODY FUSION PROTEINS
  申请人：Ribbert Markus

  公开号：US20100183516A1

  公开（公告）日：2010-07-22

  A compound comprising three components A, B, and C, which components are covalently bound forming the compound having the structure A-B-C wherein component A has a specific binding affinity for antigens, component B is covalently linked to component A component C is a compound having an alkylated purin or pyrimidin moiety such as guanin, cytosin or a Coenzyme A moiety and linked thereto a moiety having a physiological effect with the proviso that component B has an catalytical or acceptor activity to couple component C with covalently coupled components A-B.

  一种化合物，包括三个组分A、B和C，这些组分以共价键结合形成化合物，具有结构A-B-C，其中组分A具有特定的抗原结合亲和力，组分B与组分A共价连接，组分C是一种具有烷基化嘌呤或嘧啶基团的化合物，如鸟嘌呤、胞嘧啶或辅酶A基团，并链接具有生理效应的基团，但前提是组分B具有催化或受体活性，以将共价耦合的组分A-B与组分C耦合。
• Drug Transfer Based on Coenzyme A and Acyl Carrier Protein
  申请人：Brecht Andreas

  公开号：US20110014216A1

  公开（公告）日：2011-01-20

  The invention relates to coenzyme A (CoA) type compounds carrying one or more drug entities and optionally a label detectable by a fluorescence detector, magnetic resonance imaging (MRI), positron emission tomography (PET) or scintigraphy, and/or a functional group which can be transformed into a drug or a detectable label. The invention further relates to a molecular shuttle which is a fusion protein comprising a proteinaceous binding entity directed to a target and an acyl carrier protein (ACP) or a fragment thereof, and carrying one or more drug entities. The proteinaceous binding entity is designed to bind to a target structure in vitro or in vivo, for example a cellular receptor.

  本发明涉及一种携带一种或多种药物实体的辅酶A（CoA）型化合物，可选地带有可被荧光检测器、磁共振成像（MRI）、正电子发射断层扫描（PET）或闪烁扫描探测到的标记，和/或可转化为药物或可检测标记的功能基团。本发明还涉及一种分子穿梭体，它是一个融合蛋白，包括一个朝向靶标的蛋白结合实体和一个酰载体蛋白（ACP）或其片段，并携带一种或多种药物实体。蛋白结合实体被设计为在体外或体内结合到靶标结构，例如细胞受体。
• Self coupling recombinant antibody fusion proteins
  申请人：Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V.

  公开号：EP2587263A1

  公开（公告）日：2013-05-01

  A compound comprising three components A, B, and C, which components are covalently bound forming the compound having the structure A-B-C wherein component A has a specific binding affinity for antigens, component B is covalently linked to component A component C is a compound having an alkylated purin or pyrimidin moiety such as guanin, cytosin or a Coenzyme A moiety and linked thereto a moiety having a physiological effect with the proviso that component B has an catalytical or acceptor activity to couple component C with covalently coupled components A-B.

  一种由 A、B 和 C 三种成分组成的化合物，这些成分通过共价结合形成具有 A-B-C 结构的化合物，其中 成分 A 对抗原具有特异性结合亲和力、 成分 B 与成分 A 共价连接 成分 C 是一种化合物，具有烷基化的嘌呤或嘧啶分子，如鸟嘌呤、胞嘧啶或辅酶 A 分子，并与具有生理效应的分子相连，但有以下条件 成分 B 具有催化或接受活性，可将成分 C 与共价偶联的成分 A-B 连接起来。
• [EN] SELF COUPLING RECOMBINANT ANTIBODY FUSION PROTEINS<br/>[FR] PROTÉINES DE FUSION D'ANTICORPS RECOMBINANTES À AUTO-COUPLAGE
  申请人：FRAUNHOFER GES FORSCHUNG

  公开号：WO2009013359A2

  公开（公告）日：2009-01-29

  A compound comprising three components A, B, and C, which components are covalently bound forming the compound having the structure A-B-C wherein component A has a specific binding affinity for antigens, component B is covalently linked to component A component C is a compound having an alkylated purin or pyrimidin moiety such as guanin, cytosin or a Coenzyme A moiety and linked thereto a moiety having a physiological effect with the proviso that component B has an catalytical or acceptor activity to couple component C with covalently coupled components A-B.