3-methanesulfonyloxymethyl-5-nitrobenzoic acid methyl ester | 167215-63-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-methanesulfonyloxymethyl-5-nitrobenzoic acid methyl ester
• 英文别名: methyl 3-{[(methylsulfonyl)oxy]methyl}-5-nitrobenzoate；3-Carbomethoxy-5-nitrobenzyl methanesulfonate；methyl 3-(methylsulfonyloxymethyl)-5-nitrobenzoate
• CAS: 167215-63-6
• 化学式: C₁₀H₁₁NO₇S
• 分子量: 289.266
• InChiKey: UTNWCVJBOHRHMX-UHFFFAOYSA-N

物化性质

• 熔点：
  82 °C
• 沸点：
  510.5±45.0 °C(Predicted)
• 密度：
  1.450±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-methanesulfonyloxymethyl-5-nitrobenzoic acid methyl ester 在 palladium on activated charcoal sodium azide 、 氢气 、 三乙胺 作用下， 以 甲醇 为溶剂， 生成 methyl 3-Amino-5-(t-butoxycarbonylamino)methylbenzoate
  参考文献：
  名称：

  Tc-99m-labeled fibrinogen receptor antagonists: design and synthesis of cyclic RGD peptides for the detection of thrombi

  摘要：

  Tc-99m labeled derivatives of N-Me-Arg-Gly-Asp containing cyclic peptide GP IIb/IIIa receptor antagonists are potential radiopharmaceuticals for the diagnosis of thrombosis. The design and synthesis of these peptides are described. These compounds are incorporated in rapidly growing thrombi under both arterial and venous conditions in canine models. Thrombi are clearly visible in images acquired at 50 min. Copyright (C) 1996 The DuPont Merck Pharmaceutical Company.

  DOI：

  10.1016/0960-894x(96)00282-x
• 作为产物：
  描述：

  5-硝基间苯二甲酸二甲酯 在 二异丁基氢化铝 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 0.5h， 生成 3-methanesulfonyloxymethyl-5-nitrobenzoic acid methyl ester
  参考文献：
  名称：

  C和N末端蛋白质标记和蛋白质固定化的通用构件。

  摘要：

  表达的蛋白质连接（EPL）和基于马来酰亚胺基团的生物结合（MIC-结合）为蛋白质修饰提供了强大的工具。鉴于定点修饰的蛋白质对于研究蛋白质功能的重要性，开发了一种灵活的方法，可利用EPL和MIC-缀合将标签和报告基团引入蛋白质的C末端。我们描述了具有荧光标记或不同功能基团的通用构件的固相合成。该通用构件允许将不同的标签灵活地掺入蛋白质中，并通过EPL或MIC-缀合技术用于将荧光标记物引入Rab和Ras GTPases的C末端。此外，合成了经过适当修饰的结构单元，以将叠氮化物掺入蛋白质中。借助Staudinger连接，将叠氮化物官能化的Ras蛋白固定在经过膦烷修饰的表面上，从而为蛋白的固定提供了高度化学选择性的连接方法。

  DOI：

  10.1016/j.bmc.2006.05.006

文献信息

• Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents
  申请人：The Dupont Merck Pharmaceutical Company

  公开号：US05879657A1

  公开（公告）日：1999-03-09

  This invention provides novel radiopharmaceuticals that are radiolabeled cyclic compounds containing carbocyclic or heterocyclic ring systems which act as antagonists of the platelet glycoprotein IIb/IIIa complex; to methods of using said radiopharmaceuticals as imaging agents for the diagnosis of arterial and venous thrombi; to novel reagents for the preparation of said radiopharmaceuticals; and to kits comprising said reagents.

  这项发明提供了新型放射性药物，这些药物是含有碳环或杂环环系统的放射性标记的环化合物，其作为血小板糖蛋白IIb/IIIa复合物的拮抗剂；用于将所述放射性药物作为影像剂用于诊断动脉和静脉血栓的方法；用于制备所述放射性药物的新型试剂；以及包含所述试剂的试剂盒。
• [EN] QUINOXALINES AS B RAF INHIBITORS<br/>[FR] QUINOXALINES EN TANT QU'INHIBITEURS B-RAF
  申请人：ASTRAZENECA AB

  公开号：WO2006040568A1

  公开（公告）日：2006-04-20

  The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

  该发明涉及化学式(I)的化合物或其药学上可接受的盐，具有B Raf抑制活性，因此对其抗癌活性有用，从而在治疗人体或动物体的方法中使用。该发明还涉及制备所述化学化合物的方法，含有它们的药物组合物以及它们在制造用于在温血动物（如人类）中产生抗癌效果的药物的生产中的使用。
• QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY
  申请人：Aquila Brian

  公开号：US20090170849A1

  公开（公告）日：2009-07-02

  The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

  该发明涉及化学式（I）的化合物或其药学上可接受的盐，具有B Raf抑制活性，因此对其抗癌活性有用，并且在治疗人类或动物体内的方法中有用。该发明还涉及制造上述化学化合物的方法，含有它们的药物组合物以及它们在制造用于在温血动物（如人类）中产生抗癌效果的药物中的使用。
• Quinoxalines as B Baf Inhhibitors
  申请人：Aquila Brian

  公开号：US20080207616A1

  公开（公告）日：2008-08-28

  The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

  本发明涉及公式(I)的化合物或其药学上可接受的盐，其具有B Raf抑制活性，并因此在其抗癌活性方面有用，因此可以用于人类或动物体的治疗方法。本发明还涉及制造所述化合物的工艺，含有它们的制药组合物以及它们在制造用于在温血动物（如人）中产生抗癌效果的药物的生产中的使用。
• Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders
  申请人：Dupont Pharmaceuticals Company

  公开号：EP0995761A2

  公开（公告）日：2000-04-26

  This invention provides novel radiopharmaceuticals that are radiolabeled cyclic compounds containing carbocyclic or heterocyclic ring systems which act as antagonists of the platelet glycoprotein IIb/IIIa complex; to the methods of using said radiopharmaceuticals as imaging agents for the diagnosis of arterial and venous thrombi; to novel reagents for the preparation of said radiopharmaceuticals; and to kits comprising said reagents.

  本发明提供了新型放射性药物，它们是含有碳环或杂环环系统的放射性标记环状化合物，可作为血小板糖蛋白 IIb/IIIa 复合物的拮抗剂；提供了将所述放射性药物用作诊断动脉和静脉血栓的成像剂的方法；提供了制备所述放射性药物的新型试剂；以及提供了包含所述试剂的试剂盒。