6-((tert-butoxycarbonyl)(methyl)amino)hexanoic acid | 100222-98-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-((tert-butoxycarbonyl)(methyl)amino)hexanoic acid
• 英文别名: 6-((tert-Butoxycarbonyl)(methyl)amino)hexanoic acid；6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
• CAS: 100222-98-8
• 化学式: C₁₂H₂₃NO₄
• 分子量: 245.319
• InChiKey: NWRXFDQJTBAVMC-UHFFFAOYSA-N

物化性质

• 沸点：
  359.8±21.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-((tert-butoxycarbonyl)(methyl)amino)hexanoic acid 在 4-二甲氨基吡啶 、 lithium hydroxide monohydrate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 30.0h， 生成 C₁₇H₃₀N₂O₅
  参考文献：
  名称：

  肽桥黄素-胺杂化物在光氧化还原/烯胺双重催化中的光子有效利用。

  摘要：

  异短恶嗪（黄素）环系统和仲胺已通过短肽接头整合在一起，目的是在光氧化还原/烯胺双重催化中尽可能有效地利用光子。我们在本文中报道了一种肽桥联的黄素-胺杂化物，该杂化物可以在弱蓝光照射下用TEMPO催化醛的α-氧化胺化反应，以实现极高的反应量子产率（Φ= 0.80）。

  DOI：

  10.1021/acs.orglett.9b02567
• 作为产物：
  描述：

  N-甲基己内酰胺 在 盐酸 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 32.0h， 生成 6-((tert-butoxycarbonyl)(methyl)amino)hexanoic acid
  参考文献：
  名称：

  [EN] ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS
  [FR] COMPOSÉS CIBLANT DES RÉCEPTEURS HORMONAUX NUCLÉAIRES ANTICANCÉREUX

  摘要：

  该披露涉及从核类固醇受体结合剂中衍生的抗癌化合物，以及含有这些化合物的产品，以及它们的使用和制备方法。

  公开号：

  WO2019222272A1

文献信息

• The direct aldol reaction using bifunctional catalysts
  作者：Michael A. Calter、Robert K. Orr

  DOI：10.1016/s0040-4039(03)01332-7

  日期：2003.7

  In this paper, we describe an approach to the direct aldol reaction using a bifunctional catalyst containing Lewis acidic and basic functional groups. To achieve this novel means of catalysis we have developed new tertiary amine–zinc catalysts, which perform the aldol reaction between acetone and p-nitrobenzaldehyde.

  在本文中，我们描述了一种使用含有路易斯酸性和碱性官能团的双功能催化剂直接进行羟醛反应的方法。为了实现这种新颖的催化手段，我们开发了新型的叔胺-锌催化剂，该催化剂可进行丙酮和对硝基苯甲醛之间的醛醇缩合反应。
• [EN] BCL-XL/BCL-2 DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION BCL-XL/BCL-2 ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2023220425A1

  公开（公告）日：2023-11-16

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• Synthesis and DNA-cleaving activity of lactenediynes conjugated with DNA-complexing moieties
  作者：Luca Banfi、Andrea Basso、Elisabetta Bevilacqua、Valentina Gandolfo、Giuseppe Giannini、Giuseppe Guanti、Loana Musso、Monica Paravidino、Renata Riva

  DOI：10.1016/j.bmc.2008.02.022

  日期：2008.4.1

  Lactenediynes are compounds characterized by the fusion of a beta-lactam with a cyclodeca-3-ene-1,5-diyne. In this work the most promising members of this family have been activated by attaching a carbalkoxy or a carbamoyl group to the azetidinone nitrogen, and conjugated to various DNA-complexing moieties, either acting by intercalation or through groove binding. These conjugated artificial enediynes have been demonstrated to possess in vitro ability to produce single and double strand cleavage of plasmid DNA. As potency and capacity to induce double cut, they rank among the best simple enediyne analogues ever prepared. A thorough investigation was carried out in order to develop the best suited linkers for assembling these conjugates. (C) 2008 Elsevier Ltd. All rights reserved.
• <i>N</i>-Acetylgalactosamino Dendrons as Clearing Agents to Enhance Liver Targeting of Model Antibody-Fusion Protein
  作者：Barney Yoo、Sarah M. Cheal、Geralda Torchon、Anna Dilhas、Guangbin Yang、Jun Pu、Blesida Punzalan、Steven M. Larson、Ouathek Ouerfelli

  DOI：10.1021/bc400333m

  日期：2013.12.18

  Dendrimer clearing agents represent a unique class of compounds for use in multistep targeting (MST) in radioimmunotherapy and imaging. These compounds were developed to facilitate the removal of excess tumor-targeting monoclonal antibody (mAb) prior to administration of the radionuclide to minimize exposure of normal tissue to radiation. Clearing agents are designed to capture the circulating mAb, and target it to the liver for metabolism. Glycodendrons are ideally suited for MST applications as these highly branched compounds are chemically well-defined, thus advantageous over heterogeneous macromolecules. Previous studies have described glycodendron 3 as a clearing agent for use in three-step MST protocols, and early in vivo assessment of 3 showed promise. However, synthetic challenges have hampered its availability for further development. In this report we describe a new sequence of chemical steps which enables the straightforward synthesis and analytical characterization of this class of dendrons. With accessibility and analytical identification solved, we sought to evaluate both lower and higher generation dendrons for hepatocyte targeting as well as clearance of a model protein. We prepared a series of clearing agents where a single biotin is connected to glycodendrons displaying four, eight, sixteen or thirty-two alpha-thio-N-acetylgalactosamine (alpha-SGalNAc) units, resulting in compounds with molecular weights ranging from 2 to 17 kDa, respectively. These compounds were fully characterized by LCMS and NMR. We then evaluated the capacity of these agents to clear a model I-131-labeled single chain variable fragment antibody-streptavidin (I-131-scFv-SAv) fusion protein from blood and tissue in mice, and compared their clearing efficiencies to that of a 500 kDa dextran-biotin conjugate. Glycodendrons and dextran-biotin exhibited enhanced blood clearance of the scFv-SAv construct. Biodistribution analysis showed liver targeting/uptake of the scFv-SAv construct to be 2-fold higher for compounds 1 to 4, as well as for the 500 kDa dextran, over saline. Additionally, the data suggest the glycodendrons clear through the liver, whereas the dextran through reticuloendothelial system (RES) metabolism.
• Paruszewski, Ryszard; Dolinska, Ewa; Gumulka, Stanislaw, Polish Journal of Chemistry, 1985, vol. 59, # 1, p. 89 - 92
  作者：Paruszewski, Ryszard、Dolinska, Ewa、Gumulka, Stanislaw、Wisniewska, Irmina

  DOI：——

  日期：——