氨甲酸,[6-(甲氧基甲基氨基)-6-羰基己基]-,1,1-二甲基乙基酯 | 133728-24-2

• 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: 氨甲酸,[6-(甲氧基甲基氨基)-6-羰基己基]-,1,1-二甲基乙基酯
• 英文名称: tert-butyl (6-(methoxy(methyl)amino)-6-oxohexyl)carbamate
• 英文别名: Tert-butyl{6-[methoxy(methyl)amino]-6-oxohexyl}carbamate；tert-butyl N-[6-[methoxy(methyl)amino]-6-oxohexyl]carbamate
• CAS: 133728-24-2
• 化学式: C₁₃H₂₆N₂O₄
• 分子量: 274.36
• InChiKey: JNYCCUJHTOJRBJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氨甲酸,[6-(甲氧基甲基氨基)-6-羰基己基]-,1,1-二甲基乙基酯 在 lithium aluminium tetrahydride 、 三乙酰氧基硼氢化钠 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 73.5h， 生成
  参考文献：
  名称：

  Transposing Molecular Fluorescent Switches into the Near-IR:  Development of Luminogenic Reporter Substrates for Redox Metabolism

  摘要：

  This study reports the development of a Nd(III)-based near-IR luminescent probe for monitoring aldo-ketoreductase (AKR) enzyme activity. We have adapted a coumarin-based reporter substrate for the AKR1C2 to a near-IR emitting format by tethering the former to a macrocyclic Nd(III) moiety via an alkyl linker. Enzymatic reduction of the ketone functionality on the coumarin alters the energy transfer efficiency from the fluorophore to the emitting lanthanide species, resulting in emission at similar to 1060 nm from the alcohol product. The efficiency of sensitization is not significantly affected by extending the alkyl tether from two to three carbons, and even a six-carbon linker still supports viable sensitized luminescence. In addition, the suitability of these complexes to act as enzyme substrates improves with longer linker length. We have thus developed long wavelength luminogenic reporter substrates for a redox enzyme and also a general platform for transposing molecular fluorescence into the more desirable near-IR region.

  DOI：

  10.1021/ja071311d
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 N-甲基吗啉 、 sodium hydroxide 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 氨甲酸,[6-(甲氧基甲基氨基)-6-羰基己基]-,1,1-二甲基乙基酯
  参考文献：
  名称：

  Improving Broad Specificity Hapten Recognition with Protein Engineering

  摘要：

  Sulfa antibiotics (sulfonamides) are derivatives of p-aminobenzenesulfonamide that are widely used in veterinary medicine. Foods derived from treated animals may be contaminated with these drugs. However, current immunobased sulfonamide detection methods are unfit for screening of products because they are either too insensitive or specific for a few compounds only. An immunoassay capable of detecting all sulfas in a single reaction would be ideal for screening. For development of a binder capable of binding all sulfas, a protein engineering approach was chosen and the properties of monoclonal antibody 27G3 were improved with mutagenesis followed by selection with phage display. Several different mutant antibodies were isolated. The cross-reaction profile of the best mutant antibody was significantly improved over that of the wild-type antibody: it was capable of binding 9 of the tested 13 sulfonamides within a narrow concentration range and also bound the rest of the sulfas, albeit within a wider concentration range.

  DOI：

  10.1021/jf0200624

文献信息

• Site-specific chemoenzymatic protein modifications
  申请人：Usera Aimee

  公开号：US09359400B2

  公开（公告）日：2016-06-07

  The present invention relates to methods and reagents for use in site-selective modification of proteins having lysine residues with functionalized peptides using a chemoenzymatic microbial transglutaminase-mediated reaction. The functionalized proteins may be used for study or therapeutic uses.

  本发明涉及一种方法和试剂，用于利用化学酶微生物转谷氨酰胺酶介导的反应，在具有赖氨酸残基的蛋白质上进行位点选择性修饰，使用功能化肽。这些功能化蛋白质可用于研究或治疗用途。
• [EN] BICYCLIC AND TRICYCLIC CAP BEARING MERCAPTOACETAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS<br/>[FR] DÉRIVÉS BICYCLIQUES ET TRICYCLIQUES DE MERCAPTOACÉTAMIDE COIFFÉS A TITRE D'INHIBITEURS D'HISTONES DÉSACÉTYLASES
  申请人：UNIV ILLINOIS

  公开号：WO2017053360A1

  公开（公告）日：2017-03-30

  Histone deacetylases inhibitors (HDACIs) and compositions containing the same are disclosed. Methods of treating diseases and conditions wherein inhibition of HDAC provides a benefit, like a cancer, a neurodegenerative disorder, a peripheral neuropathy, a neurological disease, traumatic brain injury, stroke, hypertension, malaria, an autoimmune disease, autism, autism spectrum disorders, and inflammation, also are disclosed.

  揭示了组蛋白去乙酰化酶抑制剂（HDACIs）及含有其的组合物。还揭示了治疗疾病和病况的方法，其中抑制HDAC提供益处，如癌症、神经退行性疾病、周围神经病变、神经系统疾病、创伤性脑损伤、中风、高血压、疟疾、自身免疫疾病、自闭症、自闭症谱系障碍和炎症。
• Novel integrin receptor antagonists
  申请人：——

  公开号：US20040077638A1

  公开（公告）日：2004-04-22

  The invention relates to novel compounds which bind to integrin receptors, their use as ligands of integrin receptors, in particular as ligands of the &agr; v &bgr; 3 integrin receptor, and pharmaceutical preparations comprising these compounds.

  该发明涉及新型化合物，其与整合素受体结合，作为整合素受体的配体使用，特别是作为αvβ3整合素受体的配体，并且包括这些化合物的制药制剂。
• Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands
  申请人：Geneste Herve

  公开号：US20100048536A1

  公开（公告）日：2010-02-25

  The invention relates to novel compounds which bind to integrin receptors, their use as ligands of integrin receptors, in particular as ligands of the α v β 3 integrin receptor, and pharmaceutical preparations comprising these compounds.

  本发明涉及新型化合物，其与整合素受体结合，作为整合素受体的配体使用，特别是作为αvβ3整合素受体的配体，并包括这些化合物的制药制剂。
• HDAC Inhibitors
  申请人：Ashwell Mark A.

  公开号：US20100261710A1

  公开（公告）日：2010-10-14

  The present invention provides hydroxamic acid compounds, and methods of preparation of these compounds. The present invention also relates to pharmaceutical compositions comprising the hydroxamic acid compounds. The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a compound of the present invention.

  本发明提供了羟肟酸化合物以及这些化合物的制备方法。本发明还涉及包含羟肟酸化合物的药物组合物。本发明提供了治疗细胞增殖性疾病（如癌症）的方法，通过向需要治疗的受试者施用本发明化合物的治疗有效剂量。