tert-butyl (6-(2-chloroacetamido)hexyl)carbamate | 201282-04-4

• 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: tert-butyl (6-(2-chloroacetamido)hexyl)carbamate
• 英文别名: tert-butyl N-[6-[(2-chloroacetyl)amino]hexyl]carbamate
• CAS: 201282-04-4
• 化学式: C₁₃H₂₅ClN₂O₃
• 分子量: 292.806
• InChiKey: DHQOZFQGPYEETI-UHFFFAOYSA-N

物化性质

• 沸点：
  462.9±30.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险类别：
  6.1
• 危险性防范说明：
  P201,P202,P261,P264,P270,P271,P280,P302+P352,P304+P340,P308+P313,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331,H341
• 包装等级：
  III
• 储存条件：
  在惰性气氛下，常温条件下

反应信息

• 作为反应物：
  描述：

  tert-butyl (6-(2-chloroacetamido)hexyl)carbamate 在 4-二甲氨基吡啶 、 K₂PO₄ 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 46.0h， 生成 5-(2-((6-amidohexyl)amino)-2-oxoethyoxy)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-N-(pyridine-2-yl)benzamide
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR PURIFICATION OF SERINE PROTEASES
  [FR] COMPOSÉS ET PROCÉDÉS DE PURIFICATION DE SÉRINE PROTÉASES

  摘要：

  本文揭示了用于纯化蛋白酶的化合物、组合物、方法和试剂盒，以及用这些化合物、组合物和方法纯化的丝氨酸蛋白酶。

  公开号：

  WO2014106128A1
• 作为产物：
  描述：

  1,6-己二胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl (6-(2-chloroacetamido)hexyl)carbamate
  参考文献：
  名称：

  Synthesis and characterisation of folic acid based lanthanide ion probes

  摘要：

  As a first step in the process of developing folate based visual probes and contrast agents, we have designed and synthesised a series of first generation lanthanide(III) molecular probes. The molecular probe structure included a lanthanide(III) (Eu(III), Tb(III), Gd(III)) chelate which was linked (2 or 3) to either a folic acid or pteroic acid targeting motif. We have defined the emission properties of the molecular probes at different pHs, the emission lifetimes, and the number of metal bound water molecules. The cellular uptake of the molecular probes was investigated in HeLa cells and the amount of Eu(III) internalisation quantified by inductively coupled plasma mass spectrometry. Our results highlighted several key features of probe design: a shorter linker was more optimal for both Eu(III) ion emission intensity and cellular uptake; the folic acid targeting motif exhibited higher cellular uptake when compared to pteroic acid; the emission intensity of the folic acid based probes was pH insensitive, whereas the pteroic acid based probes were pH sensitive. These first generation folate molecular probes displayed promising chemical and physical properties, suggesting that optical and MRI probes can potentially be developed, to enable the imaging of folate receptors in cancer cells and tissues. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.10.011

文献信息

• METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20160176916A1

  公开（公告）日：2016-06-23

  The present application provides bifunctional compounds which act as protein degradation inducing moieties. The present application also relates to methods for the targeted degradation of endogenous proteins through the use of the bifunctional compounds that link a cereblon-binding moiety to a ligand that is capable of binding to the targeted protein which can be utilized in the treatment of proliferative disorders. The present application also provides methods for making compounds of the application and intermediates thereof.

  本申请提供了作为蛋白质降解诱导基团的双功能化合物。本申请还涉及通过使用将结合脑白质蛋白的基团与能够结合到靶向蛋白的配体相连的双功能化合物来实现内源蛋白的靶向降解的方法，该方法可用于治疗增殖性疾病。本申请还提供了制备本申请化合物及其中间体的方法。
• BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR
  申请人：MONTELINO THERAPEUTICS, LLC

  公开号：US20200239430A1

  公开（公告）日：2020-07-30

  The present invention relates to bi-functional compounds which function to recruit endogenous proteins to an E3 ubiquitin ligase for degradation, and methods for using same. More specifically, the present disclosure provides specific proteolysis targeting chimera (PROTAC) molecules which find utility as modulators of targeted ubiquitinization of a variety of polypeptides and other proteins, in particular the androgen receptor of a slice variant of AR which lacks the LBD, labelled as AR-V7, which are then degraded and/or otherwise inhibited by the compounds as described herein.

  本发明涉及具有双重功能的化合物，其功能是招募内源蛋白质到E3泛素连接酶进行降解，并使用相同的方法。更具体地，本公开提供了特定的蛋白酶靶向融合物（PROTAC）分子，这些分子作为调节各种多肽和其他蛋白质的靶向泛素化的调节剂，特别是缺乏LBD的AR的一个切片变体的雄激素受体，标记为AR-V7，然后通过所述化合物进行降解和/或其他方式抑制。
• [EN] REGULATING CHIMERIC ANTIGEN RECEPTORS<br/>[FR] RÉGULATION DE RÉCEPTEURS D'ANTIGÈNES CHIMÉRIQUES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2018148440A1

  公开（公告）日：2018-08-16

  This invention is in the area of compositions and methods for regulating chimeric antigen receptor immune effector cell, for example T-cell (CAR-T), therapy to modulate associated adverse inflammatory responses, for example, cytokine release syndrome and tumor lysis syndrome, using targeted protein degradation.

  这项发明涉及用于调节嵌合抗原受体免疫效应细胞（例如T细胞（CAR-T））治疗以调节相关的不良炎症反应的组合物和方法，例如细胞因子释放综合征和肿瘤溶解综合征，通过靶向蛋白质降解。
• [EN] TUNABLE ENDOGENOUS PROTEIN DEGRADATION WITH HETEROBIFUNCTIONAL COMPOUNDS<br/>[FR] DÉGRADATION MODULABLE DE PROTÉINE ENDOGÈNE AVEC DES COMPOSÉS HÉTÉROBIFONCTIONNELS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2018148443A1

  公开（公告）日：2018-08-16

  The present invention provides a means to modulate gene expression in vivo in a manner that avoids problems associated with CRISPR endogenous protein knock-out or knock-in strategies and strategies that provide for correction, or alteration, of single nucleotides. The invention includes inserting into the genome a nucleotide encoding a heterobifunctional compound targeting protein (dTAG) in-frame with the nucleotide sequence of a gene encoding an endogenously expressed protein of interest which, upon expression, produces an endogenous protein-dTAG hybrid protein. This allows for targeted protein degradation of the dTAG and the fused endogenous protein using a heterobifunctional compound.

  本发明提供了一种在体内调节基因表达的方法，避免了与CRISPR内源蛋白敲除或敲入策略以及提供单个核苷酸修正或改变的策略相关的问题。该发明包括将编码靶向蛋白（dTAG）的异双功能化合物的核苷酸插入基因组中，与编码感兴趣的内源表达蛋白的基因的核苷酸序列同框，表达后产生内源蛋白-dTAG杂交蛋白。这允许使用异双功能化合物对dTAG和融合的内源蛋白进行靶向蛋白降解。
• Labeled transition metal complexes
  申请人：Lacombe Marie

  公开号：US09188590B2

  公开（公告）日：2015-11-17

  The invention relates to a labeled transition metal complex comprising a transition metal atom, a reactive moiety for allowing a chemical or biological entity to become attached to the transition metal atom, an inert tridentate moiety as a stabilizing bridge, and a marker. The invention also relates to a labeled chemical or biological entity comprising a chemical or biological entity which is attached to said labeled transition metal complex, to the use of said complex for creating a defined shift in the molecular mass of said entity in order to facilitate mass spectrometric analysis of said entity, to methods for rendering chemical or biological entities distinguishable by mass spectrometry as well as to methods for mass spectrometric analysis of the chemical or biological entities. In addition, the present invention also relates to a set of at least two of said transition metal complexes of different molecular mass, to transition metal complexes comprising different stable isotopes, to chemical or biological entities obtained by a method of the invention and to a kit of parts supporting the use and/or methods of the invention.

  该发明涉及一种标记的过渡金属配合物，包括过渡金属原子、用于使化学或生物实体与过渡金属原子结合的反应性基团、作为稳定桥的惰性三齿基团和一个标记物。该发明还涉及一种标记的化学或生物实体，包括连接到所述标记的过渡金属配合物的化学或生物实体，以及使用该配合物来使所述实体的分子质量发生明确定义的变化，以便促进所述实体的质谱分析，以及通过质谱法使化学或生物实体可区分的方法，以及化学或生物实体的质谱分析方法。此外，本发明还涉及至少两种不同分子质量的过渡金属配合物集合，包括具有不同稳定同位素的过渡金属配合物，以及通过本发明方法获得的化学或生物实体，以及支持本发明的使用和/或方法的部件套件。