14-氨基-3,6,9,12-四氧杂十四烷酸叔丁酯 | 864680-64-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 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
• 中文名称: 14-氨基-3,6,9,12-四氧杂十四烷酸叔丁酯
• 英文名称: tert-butyl 14-amino-3,6,9,12-tetraoxatetradecan-1-oate
• 英文别名: tert-butyl 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate；tert-butyl 14-amino-3,6,9,12-tetraoxatetradecanoate；tert-Butyl 15-aza-3,6,9,12-tetraoxa-pentadecanoate；tert-butyl 15-amino-3,6,9,12-tetraoxa-pentadecanoate；Amino-PEG4-CH2CO2tBu
• CAS: 864680-64-8
• 化学式: C₁₄H₂₉NO₆
• 分子量: 307.387
• InChiKey: WPWIGTOQNITKON-UHFFFAOYSA-N

物化性质

• 沸点：
  386.1±32.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：20 mg/mL（65.07 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  21
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  89.2
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  14-氨基-3,6,9,12-四氧杂十四烷酸叔丁酯 在 N-甲基吗啉 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 以60%的产率得到
  参考文献：
  名称：

  WO2006/82184

  摘要：

  公开号：
• 作为产物：
  描述：

  四乙二醇单对甲苯磺酸酯 在 rhodium(II) acetate dimer 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 14-氨基-3,6,9,12-四氧杂十四烷酸叔丁酯
  参考文献：
  名称：

  IRAK DEGRADERS AND USES THEREOF

  摘要：

  本发明提供了化合物、其组合物以及使用这些化合物的方法。

  公开号：

  US20190192668A1

文献信息

• Amide bond-containing monodisperse polyethylene glycols beyond 10 000 Da
  作者：Zihong Wan、Yu Li、Shaowei Bo、Ming Gao、Xuemeng Wang、Kai Zeng、Xin Tao、Xuefei Li、Zhigang Yang、Zhong-Xing Jiang

  DOI：10.1039/c6ob01286h

  日期：——

  valuable in biomedical applications, their synthesis remains a long-standing challenge. To this end, a peptide-based strategy for such M-PEGs was developed. With macrocyclic sulfates as the key intermediates, a panel of oligoethylene glycol (OEG) containing ω-amino acids were prepared with high efficiency. Through solid phase peptide synthesis (SPPS), these amino acids were conveniently assembled into a series

  尽管大于4000 Da的单分散聚乙二醇（M-PEG）在生物医学应用中特别有价值，但其合成仍然是一项长期的挑战。为此，开发了用于这种M-PEG的基于肽的策略。以大环硫酸盐为主要中间体，高效制备了一组含有ω-氨基酸的低聚乙二醇（OEG）。通过固相肽合成（SPPS），这些氨基酸可以方便地组装成一系列具有酰胺键的M-PEG，在分子量和酰胺密度选择方面具有很高的灵活性。通过这种策略，以克为单位制备了10 262 Da的M-PEG，并在小鼠模型中评估了其生物相容性。
• [EN] TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS<br/>[FR] ADMINISTRATION CIBLÉE D'UN MÉDICAMENT FAISANT APPEL À DES COUPLEURS FONDÉS SUR L'AFFINITÉ
  申请人：INVICTUS ONCOLOGY PVT LTD

  公开号：WO2015148126A1

  公开（公告）日：2015-10-01

  The current invention discloses targeted drug delivery conjugates comprising a targeting moiety linked to a drug via a molecule having an affinity for the targeting moiety. Typically, the conjugate comprises a targeting ligand and a molecule of interest, e.g., a therapeutic agent. The targeting ligand and the molecule of interest are linked to each other via an affinity ligand. The affinity ligand is further covalently or non-covalently linked to a drug or therapeutic agent. The drug can be modified to make it more soluble and so that it cleaves from the linking molecule at the target site.

  当前的发明揭示了包括通过具有与靶向基团亲和力的分子连接到药物的靶向药物传递共轭物。通常，该共轭物包括一个靶向配体和一个感兴趣的分子，例如，一个治疗剂。靶向配体和感兴趣的分子通过一个亲和配体相互连接。该亲和配体进一步以共价或非共价方式连接到药物或治疗剂。药物可以被修改以使其更溶解，并使其在靶点处从连接分子中解离。
• Antithrombotic compound
  申请人：Sanofi-Aventis

  公开号：EP1574516A1

  公开（公告）日：2005-09-14

  The present invention relates compounds of the formula A         oligosaccharide-spacer-GpIIb/IIIa antagonist     (A), wherein the oligosaccharide is a negatively charged oligosaccharide residue comprising four to twenty five monosaccharide units, the charge being compensated by positively charged counterions, and wherein the oligosaccharide residue is derived from an oligosaccharide which has (AT-III mediated) anti-Xa activity per se; the spacer is a bond or an essentially pharmacologically inactive linking residue; the GpIIb/IIIa antagonist is a residue mimicking the RGD and/or K(QA)GD fragment of fibrinogen, typically comprising an optionally esterified carboxylate moiety and a basic moiety located within the residue at a distance of 10-20 Å from each other; or a pharmaceutically acceptable salt thereof or a prodrug or a solvate thereof. The compounds of the invention have antithrombotic activity and can be used in treating or preventing thrombotic diseases.

  本发明涉及以下公式A的化合物 寡糖-间隔-GpIIb/IIIa拮抗剂（A）， 其中 寡糖是由四到二十五个单糖单位组成的带负电的寡糖残基，其电荷由带正电的对离子补偿，寡糖残基来源于具有（AT-III介导的）抗Xa活性的寡糖； 间隔是一种键或基本上是药理学上不活性的连接残基； GpIIb/IIIa拮抗剂是模拟纤维蛋白原的RGD和/或K(QA)GD片段的残基，通常包括一个可选择酯化的羧酸基团和一个位于残基内距离为10-20埃的基本基团； 或其药学上可接受的盐或其前药或其溶剂化物。 本发明的化合物具有抗血栓活性，可用于治疗或预防血栓性疾病。
• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE
  申请人：Arvinas, Inc.

  公开号：US20180177750A1

  公开（公告）日：2018-06-28

  The present disclosure relates to bifunctional compounds, which find utility as modulators of enhancer of zeste homolog 2 (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hippel-Lindau, cereblon, Inhibitors of Apotosis Proteins or mouse double-minute homolog 2 ligand which binds to the respective E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为增强子锁定同源2的调节剂而发挥作用。具体而言，本公开涉及包含一端为Von Hippel-Lindau、cereblon、凋亡抑制蛋白或鼠双分子同源2配体的双功能化合物，该配体与相应的E3泛素连接酶结合，另一端含有结合目标蛋白的基团，使目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性范围。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• METHOD FOR CELL MEMBRANE PERMEATION FOR COMPOUND
  申请人：HitGen LTD.

  公开号：US20160153002A1

  公开（公告）日：2016-06-02

  The present invention discloses a cell-penetrating method for compounds, comprising the following steps of: (1) preparing raw materials, i.e., the compounds and DNA or RNA; (2) linking: linking the compounds to the DNA or RNA to obtain a molecular conjugate; and (3) transferring: transferring the molecular conjugate obtained in the step (2) into cells by a gene transfer method. The present invention further discloses a structure of a molecular conjugate for transmembrane transfer and a method for synthesizing the molecular conjugate. The method of the present invention effectively solves a problem of low membrane permeability of compounds, so that the compounds enter the cell to act on targets thereof, thus to provide a novel drug-delivery way. The method of the present invention may be used for clinical treatment by drugs with low membrane permeability. This method significantly increases the quantity of potential drugs, and the clinical application of many drugs which are eliminated due to their low membrane permeability becomes possible. The method of the present invention may be used for capturing unknown targets of drugs in cells and conducting researches on the target mechanism. This method significantly shortens the course of research and development of drugs and has excellent application prospect.

  本发明公开了一种化合物的细胞穿透方法，包括以下步骤：(1)准备原材料，即化合物和DNA或RNA；(2)连接：将化合物连接到DNA或RNA以获得分子共轭物；和(3)转移：通过基因转移方法将在步骤(2)中获得的分子共轭物转移到细胞中。本发明还公开了一种用于跨膜转移的分子共轭物的结构和合成该分子共轭物的方法。本发明的方法有效解决了化合物低膜通透性的问题，使化合物进入细胞作用于其靶标，从而提供了一种新的药物传递方式。本发明的方法可用于具有低膜通透性的药物的临床治疗。该方法显著增加了潜在药物的数量，并使许多因其低膜通透性而被淘汰的药物的临床应用成为可能。本发明的方法可用于在细胞中捕获药物的未知靶标并对靶标机制进行研究。该方法显著缩短了药物研发过程，并具有极佳的应用前景。