ethyl 4-(4-((tert-butoxycarbonyl)amino)phenoxy)butanoate | 1133001-25-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-(4-((tert-butoxycarbonyl)amino)phenoxy)butanoate
• 英文别名: Ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]butanoate
• CAS: 1133001-25-8
• 化学式: C₁₇H₂₅NO₅
• 分子量: 323.389
• InChiKey: NSXGJJLYCOJEPQ-UHFFFAOYSA-N

物化性质

• 沸点：
  409.3±30.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-(4-((tert-butoxycarbonyl)amino)phenoxy)butanoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以99%的产率得到ethyl 4-(4-aminophenoxy)butanoate
  参考文献：
  名称：

  化学选择性和位点选择性的赖氨酸定向赖氨酸修饰能够对天然蛋白进行单点标记。

  摘要：

  在努力理解和调节蛋白质的结构和功能的过程中，出现了精确标记蛋白质的必要性。它要求标签的选择性附着，例如亲和探针，荧光团和有效的细胞毒素。在这里，我们报告了一种方法，该方法可以对天然蛋白质中的高频Lys残基进行单点标记。首先，使能试剂通过化学选择性形成具有多个溶剂可及的Lys残基的稳定亚胺。这些关键销可调节由间隔物连接的第二个Lys选择性亲电试剂的位置。因此，它可以独立于其在反应顺序中的位置，对Lys残基进行不可逆的单点标记。用户友好的协议涉及一系列反卷积和解决化学选择性，位点选择性和模块化的步骤。此外，它还提供有序的固定和分析纯的探针标记蛋白。此外，该方法还提供了抗体-药物偶联物（ADC）的访问途径，该抗体对表达HER-2的SKBR-3乳腺癌细胞具有高度选择性的抗增殖活性。

  DOI：

  10.1002/anie.202000062
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 potassium carbonate 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 36.0h， 生成 ethyl 4-(4-((tert-butoxycarbonyl)amino)phenoxy)butanoate
  参考文献：
  名称：

  [EN] MULTI-FUNCTIONAL CHEMICAL AGENTS, AND THE METHOD FOR PROTEIN MODIFICATION
  [FR] AGENTS CHIMIQUES MULTIFONCTIONNELS ET PROCÉDÉ DE MODIFICATION DE PROTÉINES

  摘要：

  一种多功能化学试剂，包括功能试剂Fn1、Fn2和连接剂，用于蛋白质的枢纽定向（LDM）、蛋白质定向（PDPM）修饰，以及Fn1通过Fn2加速动力学标记。

  公开号：

  WO2017158612A1

文献信息

• [EN] CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY<br/>[FR] INHIBITEURS DES KINASES DÉPENDANTES DES CYCLINES (CDK) CONTENANT UNE FRACTION DE LIAISON AU ZINC
  申请人：CURIS INC

  公开号：WO2009036016A1

  公开（公告）日：2009-03-19

  The present invention relates to CDK inhibitors and their use in the treatment of cell proliferative diseases such as cancer. The compounds of the invention may further act as HDAC inhibitors.

  本发明涉及CDK抑制剂及其在治疗癌症等细胞增殖性疾病中的应用。该发明的化合物还可能作为HDAC抑制剂。
• CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY
  申请人：Qian Changgeng

  公开号：US20090093507A1

  公开（公告）日：2009-04-09

  The present invention relates to CDK inhibitors and their use in the treatment of cell proliferative diseases such as cancer. The compounds of the invention may further act as HDAC inhibitors.

  本发明涉及CDK抑制剂及其在治疗细胞增殖性疾病如癌症中的应用。本发明的化合物可能进一步作为HDAC抑制剂。
• Multi-functional chemical agents, and the method for protein modification
  申请人：Department of Biotechnology

  公开号：US11149058B2

  公开（公告）日：2021-10-19

  A multifunctional chemical agents comprising functional agents Fn1, Fn2 and linkers, for the linchpin directed (LDM), protein directed (PDPM) modifications of proteins, and Fn1 accelerated kinetic labeling by Fn2.

  一种多功能化学制剂，由功能制剂 Fn1、Fn2 和连接体组成，用于对蛋白质进行线粒体定向（LDM）、蛋白质定向（PDPM）修饰，以及 Fn1 通过 Fn2 加速动力学标记。
• Single-Site Labeling of Native Proteins Enabled by a Chemoselective and Site-Selective Chemical Technology
  作者：Srinivasa Rao Adusumalli、Dattatraya Gautam Rawale、Usha Singh、Prabhanshu Tripathi、Rajesh Paul、Neetu Kalra、Ram Kumar Mishra、Sanjeev Shukla、Vishal Rai

  DOI：10.1021/jacs.8b10490

  日期：2018.11.7

  Chemical biology research often requires precise covalent attachment of labels to the native proteins. Such methods are sought after to probe, design, and regulate the properties of proteins. At present, this demand is largely unmet due to the lack of empowering chemical technology. Here, we report a chemical platform that enables site-selective labeling of native proteins. Initially, a reversible intermolecular reaction places the "chemical linchpins" globally on all the accessible Lys residues. These linchpins have the capability to drive site-selective covalent labeling of proteins. The linchpin detaches within physiological conditions and capacitates the late-stage installation of various tags. The chemical platform is modular, and the reagent design regulates the site of modification. The linchpin is a multitasking group and facilitates purification of the labeled protein eliminating the requirement of additional chromatography tag. The methodology allows the labeling of a single protein in a mixture of proteins. The precise modification of an accessible residue in protein ensures that their structure remains unaltered. The enzymatic activity of myoglobin, cytochrome C, aldolase, and lysozyme C remains conserved after labeling. Also, the cellular uptake of modified insulin and its downstream signaling process remain unperturbed. The linchpin directed modification (LDM) provides a convenient route for the conjugation of a fluorophore and drug to a Fab and monoclonal antibody. It delivers trastuzumab-doxorubicin and trastuzumab-emtansine conjugates with selective antiproliferative activity toward Her-2 positive SKBR-3 breast cancer cells.
• DETERMINATION OF CONCENTRATION OF FK778 BY COMPETITIVE IMMUNOASSAY
  申请人：Spring G. Thomas

  公开号：US20070161123A1

  公开（公告）日：2007-07-12

  Methods and kits for measurement of concentration of FK778 in a biological sample by means of an immunoassay, preferably a competitive immunoassay. In one aspect, the method and kit involve the use of (a) an antibody to FK778 conjugated to a label, e.g., an acridinium label, (b) an antibody to FK778 not conjugated to a label, (c) a solid phase containing an antibody to a first hapten, e.g., a fluorescein hapten, and (d) a bihapten comprising a first hapten and FK778 or an analogue of FK778, e.g., a bihapten comprising a fluorescein hapten and a FK778 hapten. In another aspect, the method and kit involve the use of (a) antibody to FK778, (b) a bihapten comprising FK778 or an analogue of FK778 and a first hapten, e.g., a bihapten comprising the fluorescein hapten and the hapten of FK778 or an analogue of FK778, and (c) a pretreatment reagent.