4-(1-溴乙基)-3-硝基苯甲酸甲酯 | 1039151-67-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(1-溴乙基)-3-硝基苯甲酸甲酯
• 英文名称: methyl-4-(1-bromoethyl)-3-nitrobenzoate
• 英文别名: Methyl 4-(1-bromoethyl)-3-nitrobenzoate
• CAS: 1039151-67-1
• 化学式: C₁₀H₁₀BrNO₄
• 分子量: 288.098
• InChiKey: RKZJEBNUIZLSJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(1-溴乙基)-3-硝基苯甲酸甲酯 在 lithium hydroxide monohydrate 、 palladium 10% on activated carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 53.42h， 生成
  参考文献：
  名称：

  The discovery of potent small molecule cyclic urea activators of STING

  摘要：

  DOI：

  10.1016/j.ejmech.2021.114087
• 作为产物：
  描述：

  4-乙基-3-硝基苯甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 反应 16.0h， 以58%的产率得到4-(1-溴乙基)-3-硝基苯甲酸甲酯
  参考文献：
  名称：

  [EN] SMALL MOLECULE MODULATORS OF HUMAN STING
  [FR] MODULATEURS À PETITES MOLÉCULES DE STING HUMAIN

  摘要：

  本发明涉及式(I)的化合物。这些化合物可以用于调节干扰素基因激活蛋白（STING）并因此治疗癌症和微生物感染等疾病。

  公开号：

  WO2018234808A1

文献信息

• High-Yielding and Photolabile Approaches to the Covalent Attachment of Biomolecules to Surfaces via Hydrazone Chemistry
  作者：Ju Hun Lee、Dylan W. Domaille、Hyunwoo Noh、Taeseok Oh、Chulmin Choi、Sungho Jin、Jennifer N. Cha

  DOI：10.1021/la500744s

  日期：2014.7.22

  The development of strategies to couple biomolecules covalently to surfaces is necessary for constructing sensing arrays for biological and biomedical applications. One attractive conjugation reaction is hydrazone formation the reaction of a hydrazine with an aldehyde or ketone as both hydrazines and aldehydes/ketones are largely bioorthogonal, which makes this particular reaction suitable for conjugating biomolecules to a variety of substrates. We show that the mild reaction conditions afforded by hydrazone conjugation enable the conjugation of DNA and proteins to the substrate surface in significantly higher yields than can be achieved with traditional bioconjugation techniques, such as maleimide chemistry. Next, we designed and synthesized a photocaged aryl ketone that can be conjugated to a surface and photochemically activated to provide a suitable partner for subsequent hydrazone formation between the surface-anchored ketone and DNA- or protein-hydrazines. Finally, we exploit the latent functionality of the photocaged ketone and pattern multiple biomolecules on the same substrate, effectively demonstrating a strategy for designing substrates with well-defined domains of different biomolecules. We expect that this approach can be extended to the production of multiplexed assays by using an appropriate mask with sequential photoexposure and biomolecule conjugation steps.
• Photocleavable Initiator Nucleotide Substrates for an Aldolase Ribozyme
  作者：Stefan Fusz、Seergazhi G. Srivatsan、Damian Ackermann、Michael Famulok

  DOI：10.1021/jo800639p

  日期：2008.7.1

  We have previously reported the in vitro selection of a ribozyme that catalyzes an aldol reaction between a levulinic amide aldol donor and a benzaldehyde substrate. The selection scheme involved the priming of the RNA library with a levulinic amide aldol donor group that was introduced via transcription priming in the presence of a modified guanosine mononucleotide derivative. Here we provide a detailed description of the synthesis of the ribozyme substrates and the substrate oligonucleotides used for its isolation and characterization. The aldol donor group was attached to the phosphate moiety of guanosine monophosphate via a photocleavable linker molecule. This initiator nucleotide was efficiently incorporated into RNA molecules of differing sizes and composition by transcription priming with T7 RNA polymerase. With this method modified RNA oligonucleotides as small as a 6-mer sequence can be generated. A temperature profile of the intermolecular reaction indicates that the modified RNA hexamer binds the ribozyme largely by Watson-Crick pairing and only to a minor extent via the non-RNA moiety, whereas the ribozyme appears to have evolved a specific binding site for the aldehyde substrate.
• SMALL MOLECULE MODULATORS OF HUMAN STING
  申请人：Curadev Pharma Limited

  公开号：EP3642198B1

  公开（公告）日：2022-03-16
• BETA-LACTAMASE INHIBITORS
  申请人：VenatoRx Pharmaceuticals, Inc.

  公开号：US20160304539A1

  公开（公告）日：2016-10-20

  Described herein are compounds and compositions that modulate the activity of beta-lactamases. In some embodiments, the compounds described herein inhibit beta-lactamase. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.
• US9771382B2
  申请人：——

  公开号：US9771382B2

  公开（公告）日：2017-09-26