14-(tert-butoxycarbonylamino)-5-oxo-3,9,12-trioxa-6-azatetradecan-1-oic acid | 223599-67-5

• 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: 14-(tert-butoxycarbonylamino)-5-oxo-3,9,12-trioxa-6-azatetradecan-1-oic acid
• 英文别名: BocNH-PEG2-CH2CH2NHCOCH2OCH2COOH；2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
• CAS: 223599-67-5
• 化学式: C₁₅H₂₈N₂O₈
• 分子量: 364.396
• InChiKey: GXHBGUKUPHAMAY-UHFFFAOYSA-N

物化性质

• 沸点：
  596.5±50.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  25
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  14-(tert-butoxycarbonylamino)-5-oxo-3,9,12-trioxa-6-azatetradecan-1-oic acid 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Design and synthesis of reagents for phage display screening of dehalogenases

  摘要：

  Bifunctional molecules containing both a biotin and a substrate unit have been designed and synthesized for phage display screening of mutant libraries of haloalkane dehalogenase enzymes. The molecules were assembled using a convergent modular synthetic strategy. One molecule was synthesized to evaluate the concept of covalent capture and a second for screening of phage libraries for enantioselectivity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00697-0
• 作为产物：
  描述：

  1,8-二氨基-3,6-二氧杂辛烷 在 4-二甲氨基吡啶 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 14-(tert-butoxycarbonylamino)-5-oxo-3,9,12-trioxa-6-azatetradecan-1-oic acid
  参考文献：
  名称：

  A New Aliphatic Amino Prodrug System for the Delivery of Small Molecules and Proteins Utilizing Novel PEG Derivatives

  摘要：

  A new amino PEG prodrug system, based entirely on aliphatic structures, has been designed using ester derivatives easily synthesized from N-modified bis-N-2-hydroxyethylglycinamides. Hydrolysis of the various promoiety bonds, in vivo, regenerated amine in a predictable manner. Thus, a novel new methodology for controlled release of amino-containing drugs, peptides, and proteins has been accomplished. This work demonstrates the usefulness of a PEG prodrug strategy that results in solubilization of insoluble amino-containing drugs and provides prodrugs with relatively long circulating half-lives. It can be appreciated that this novel system should also be applicable for nonpolymer-containing prodrugs as well.

  DOI：

  10.1021/jm030369+

文献信息

• CHROMOGENIC PEROXIDASE SUBSTRATES
  申请人：Dako Denmark A/S

  公开号：US20170175178A1

  公开（公告）日：2017-06-22

  Chromogenic conjugates for color-based detection of targets are described. The conjugates comprise a chromogenic moiety such as rhodamine, rhodol or fluorescein. The chromogenic moiety is linked to a peroxidase substrate. The chromogenic conjugates can be used in immunohistochemical analysis and in situ hybridization. The conjugates can be used to detect 1, 2, 3 or more targets in a sample by color.

  描述了用于基于颜色的目标检测的色素结合物。这些结合物包含一个色素部分，例如罗丹明、罗丹醇或荧光素。色素部分与过氧化物酶底物相连。色素结合物可用于免疫组织化学分析和原位杂交。这些结合物可以通过颜色检测样品中的1个、2个、3个或更多目标。
• Solid-phase oligosaccharide tagging: a technique for manipulation of immobilized carbohydrates
  申请人：Merck Patent GmbH

  公开号：US07893253B2

  公开（公告）日：2011-02-22

  The invention relates to methods of manipulating immobilised carbohydrates by derivatisation. Depending on the nature of the derivatisation, the carbohydrate may thereby be more easily detected and/or identified or handled. In particular, the invention relates to methods of preparing a reactive sugar comprising the steps of: i) providing a sample comprising a reducing sugar; ii) providing a solid support covalently attached to a linker comprising a capture group comprising an —NH2 group, wherein said linker optionally is attached to said solid support via a spacer; iii) reacting said reducing sugar with said —NH2 group, thereby obtaining an immobilised sugar; iv) reacting free —NH2 groups with a capping agent, wherein the capping agent comprises a reactive group capable of reacting with an —NH2 group; and v) reducing C═N bonds with a reducing agent, thereby obtaining an reactive sugar of the structure SugarCHn-NH— linked to a solid support via a linker and optionally a spacer, wherein n is 1 or 2.

  该发明涉及通过衍生化来操纵固定碳水化合物的方法。根据衍生化的性质，碳水化合物可以更容易地被检测和/或识别或处理。具体来说，该发明涉及制备一种反应性糖的方法，包括以下步骤：i)提供含有还原糖的样品；ii)提供固定支持物，该固定支持物共价地连接到包含捕获基团的连接剂，该捕获基团包含一个—NH2基团，其中所述连接剂可选择地通过一个间隔物连接到所述固定支持物；iii)将所述还原糖与所述—NH2基团反应，从而获得固定化糖；iv)将自由的—NH2基团与封端剂反应，其中所述封端剂包括一个能够与—NH2基团反应的反应性基团；v)用还原剂还原C═N键，从而获得结构为SugarCHn-NH—的反应性糖，通过连接剂和可选择的间隔物连接到固定支持物，其中n为1或2。
• Solid-Phase Oligosaccharide Tagging: a Technique for Manipulation of Immobilized Carbohydrates
  申请人：Lohse Anders

  公开号：US20080227092A1

  公开（公告）日：2008-09-18

  The invention relates to methods of manipulating immobilised carbohydrates by derivatisation. Depending on the nature of the derivatisation, the carbohydrate may thereby be more easily detected and/or identified or handled. In particular, the invention relates to methods of preparing a reactive sugar comprising the steps of: i) providing a sample comprising a reducing sugar; ii) providing a solid support covalently attached to a linker comprising a capture group comprising an —NH2 group, wherein said linker optionally is attached to said solid support via a spacer; iii) reacting said reducing sugar with said —NH2 group, thereby obtaining an immobilised sugar; iv) reacting free —NH2 groups with a capping agent, wherein the capping agent comprises a reactive group capable of reacting with an —NH2 group; and v) reducing C═N bonds with a reducing agent, thereby obtaining an reactive sugar of the structure SugarCH n —NH— linked to a solid support via a linker and optionally a spacer, wherein n is 1 or 2.

  本发明涉及通过衍生化来操纵固定化碳水化合物的方法。根据衍生化的性质，碳水化合物可以更容易地被检测和/或识别或处理。特别地，本发明涉及制备反应性糖的方法，包括以下步骤：i）提供包含还原糖的样品；ii）提供共价连接到捕获基团（包括—NH2基团）的连接剂的固体支持，其中所述连接剂可以通过间隔物连接到所述固体支持；iii）将还原糖与所述—NH2基团反应，从而获得固定化糖；iv）用盖帽剂反应自由—NH2基团，所述盖帽剂包括能够与—NH2基团反应的反应性基团；v）用还原剂还原C═N键，从而获得结构为SugarCHn—NH—的反应性糖，其通过连接剂和可选的间隔物与固体支持连接，其中n为1或2。
• METHODS, COMPOSITIONS, AND KITS FOR THE SELECTIVE ACTIVATION OF PROTOXINS THROUGH COMBINATORAL TARGETING
  申请人：Seed Brian

  公开号：US20100055761A1

  公开（公告）日：2010-03-04

  The present invention provides methods and compositions for treating various diseases through selective killipg of targeted cells using a combinatorial targeting approach. The invention features protoxin fusion proteins containing a cell targeting moiety and, a modifiable activation moiety which is activated by an activation moiety not naturally operably found in, on, or in the vicinity of a target cell. These methods also include the combinatorial use of two or more therapeutic agents, at minimum comprising a protoxin and a protoxin activator, to target and destroy a specific cell population.

  本发明提供了一种通过组合靶向方法选择性杀死靶向细胞治疗各种疾病的方法和组合物。本发明特征在于原毒素融合蛋白质包含一个细胞靶向部分和一个可修改的激活部分，该激活部分通过不在目标细胞上、内、周围自然可操作发现的激活部分被激活。这些方法还包括组合使用两种或更多治疗剂，至少包括原毒素和原毒素激活剂，以靶向和摧毁特定细胞群体。
• Methods, compositions, and kits for the selective activation of protoxins through combinatorial targeting
  申请人：Seed Brian

  公开号：US08993295B2

  公开（公告）日：2015-03-31

  The present invention provides methods and compositions for treating various diseases through selective killing of targeted cells using a combinatorial targeting approach. The invention features protoxin fusion proteins containing a cell targeting moiety and, a modifiable activation moiety which is activated by an activation moiety not naturally operably found in, on, or in the vicinity of a target cell. These methods also include the combinatorial use of two or more therapeutic agents, at minimum comprising a protoxin and a protoxin activator, to target and destroy a specific cell population.

  本发明提供了通过选择性杀死靶向细胞的组合靶向方法来治疗各种疾病的方法和组合物。本发明的特点是原毒素融合蛋白，包含一个细胞靶向基团和一个可修改的激活基团，该激活基团通过非自然操作在目标细胞上或其附近被激活。这些方法还包括两种或更多治疗剂的组合使用，至少包括原毒素和原毒素激活剂，以靶向和摧毁特定的细胞群。