tert-butyl 3-isocyanatopropionate | 884504-55-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl 3-isocyanatopropionate
• 英文别名: Tert-butyl 3-isocyanatopropanoate
• CAS: 884504-55-6
• 化学式: C₈H₁₃NO₃
• mdl: MFCD00079726
• 分子量: 171.196
• InChiKey: IFNFFMRMBNUHNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-isocyanatopropionate 在 劳森试剂 、 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 tert-butyl (S)-3(6-(4-fluorobenzyl)-3-oxo-1-thioxo-5,6,11,11a-tetrahydro-1H-imidazo[1’,5’:1,6]pyrido[3,4-b]indol-2(3H)-yl)propanoate
  参考文献：
  名称：

  [EN] TETRACYCLIC AUTOTAXIN INHIBITORS
  [FR] INHIBITEURS D'AUTOTAXINE TÉTRACYCLIQUE

  摘要：

  本文描述了一些自体磷脂酶抑制剂化合物，制备这类化合物的方法，包含这类化合物的药物组合物和药物，以及使用这类化合物治疗与自体磷脂酶活性相关的疾病、疾病或紊乱的方法。

  公开号：

  WO2015077502A1
• 作为产物：
  描述：

  tert-butyl 4-azido-4-oxobutanoate 反应 3.5h， 生成 tert-butyl 3-isocyanatopropionate
  参考文献：
  名称：

  Synthesis and DNA-cleaving activity of lactenediynes conjugated with DNA-complexing moieties

  摘要：

  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.

  DOI：

  10.1016/j.bmc.2008.02.022

文献信息

• [EN] PENICILLIN-BINDING PROTEIN INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINES DE LIAISON À LA PÉNICILLINE
  申请人：VENATORX PHARMACEUTICALS INC

  公开号：WO2018218190A1

  公开（公告）日：2018-11-29

  Described herein are certain boron-containing compounds, compositions, preparations and their use as modulators of the transpeptidase function of bacterial penicillin-binding proteins and as antibacterial agents. In some embodiments, the compounds described herein inhibit penicillin-binding proteins. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.

  本文描述了某些含硼化合物、组合物、制剂及它们作为细菌青霉素结合蛋白的跨肽酶功能调节剂和抗菌剂的用途。在某些实施例中，本文描述的化合物抑制青霉素结合蛋白。在某些实施例中，本文描述的化合物在治疗细菌感染方面是有用的。
• NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF
  申请人：HANGZHOU DAC BIOTECH CO., LTD.

  公开号：US20190125894A1

  公开（公告）日：2019-05-02

  Hydrophilic linkers are useful for linking drugs to cell-binding ligands in ligand-drug conjugates, such as antibody-drug conjugates. The ligand-drug conjugate includes a cell-binding ligand capable of binding to a particular cell population, and a drug connected to the ligand by a hydrophilic linker. The hydrophilic linker includes one or more hydrophilic groups that render the linker hydrophilic. The hydrophilic linker may also include functional groups at the two termini for coupling to the drug and the cell-binding ligand respectively.

  亲水性连接剂对于将药物与细胞结合配体在配体-药物共轭物中连接起来是很有用的，比如抗体-药物共轭物。这种配体-药物共轭物包括一个能够结合到特定细胞群的细胞结合配体，以及一个通过亲水性连接剂连接到配体的药物。亲水性连接剂包括一个或多个使连接剂具有亲水性的亲水性基团。亲水性连接剂还可能在两个末端包括功能基团，分别用于与药物和细胞结合配体进行偶联。
• Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor
  申请人：PharmAkea, Inc.

  公开号：US09051320B1

  公开（公告）日：2015-06-09

  Described herein are methods and compositions for treatment or prevention of metabolic disorder(s) in an individual. The methods and compositions disclosed herein include the use of at least one autotaxin inhibitor compound.

  本文描述了用于治疗或预防个体代谢紊乱的方法和组合物。本文披露的方法和组合物包括至少一种自体脂肪酸酶抑制剂化合物的使用。
• TETRACYCLIC AUTOTAXIN INHIBITORS
  申请人：PHARMAKEA, INC.

  公开号：US20160264575A1

  公开（公告）日：2016-09-15

  Described herein are compounds that are autotaxin inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with autotaxin activity.

  本文描述了一些自体脂肪酸酯酶抑制剂化合物，制备这些化合物的方法，包括这些化合物的制药组合物和药物，以及使用这些化合物治疗与自体脂肪酸酯酶活性相关的疾病、病症或疾病的方法。
• Hydrophilic linkers and ligand-drug conjugates thereof
  申请人：HANGZHOU DAC BIOTECH CO., LTD.

  公开号：US10456479B2

  公开（公告）日：2019-10-29

  Hydrophilic linkers are useful for linking drugs to cell-binding ligands in ligand-drug conjugates, such as antibody-drug conjugates. The ligand-drug conjugate includes a cell-binding ligand capable of binding to a particular cell population, and a drug connected to the ligand by a hydrophilic linker. The hydrophilic linker includes one or more hydrophilic groups that render the linker hydrophilic. The hydrophilic linker may also include functional groups at the two termini for coupling to the drug and the cell-binding ligand respectively.

  亲水连接体可用于连接配体-药物共轭物（如抗体-药物共轭物）中的药物与细胞结合配体。配体-药物共轭物包括能与特定细胞群结合的细胞结合配体，以及通过亲水连接体与配体连接的药物。亲水连接体包括一个或多个亲水基团，使连接体具有亲水性。亲水连接体的两个末端还可包括分别与药物和细胞结合配体偶联的官能团。