5-乙酰氨基-4-甲氧基-2-硝基苯甲酸 | 130017-52-6

• 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: 5-乙酰氨基-4-甲氧基-2-硝基苯甲酸
• 英文名称: 5-acetylamino-4-methoxy-2-nitrobenzoic acid
• 英文别名: 3-acetamido-4-methoxy-6-nitrobenzoic acid；5-Acetamido-4-methoxy-2-nitrobenzoic Acid；6-Nitro-3-acetamino-4-methoxy-benzoesaeure；5-Acetylamino-4-methoxy-2-nitro-benzoesaeure；2-nitro-4-methoxy-5 (N-acetyl)aminobenzoic acid；2-nitro-4-methoxy-5(N-acetyl)aminobenzoic acid
• CAS: 130017-52-6
• 化学式: C₁₀H₁₀N₂O₆
• 分子量: 254.199
• InChiKey: ICAOGFCCGJAOIO-UHFFFAOYSA-N

物化性质

• 熔点：
  259-260 °C (decomp)
• 沸点：
  499.3±45.0 °C(Predicted)
• 密度：
  1.487±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-乙酰氨基-4-甲氧基-2-硝基苯甲酸 在 palladium on activated charcoal ammonium hydroxide 、 氯化亚砜 、 氢气 作用下， 以 甲醇 为溶剂， 40.0~100.0 ℃ 、101.33 kPa 条件下， 反应 7.5h， 生成 N-(4-hydroxy-7-methoxyquinazolin-6-yl)acetamide
  参考文献：
  名称：

  关于强心剂的研究。I.一些喹唑啉衍生物的合成。

  摘要：

  合成了一系列在4-位具有多个4-杂环基哌啶子基的喹唑啉衍生物，并测试了其在麻醉犬中的强心活性。其中，几种6,7-二甲氧基喹唑啉衍生物显示强效的强心活性。

  DOI：

  10.1248/cpb.38.1591
• 作为产物：
  描述：

  3-acetamido-4-methoxybenzoic acid 在 nitronium tetrafluoborate 作用下， 以 乙腈 为溶剂， 反应 0.17h， 以74%的产率得到5-乙酰氨基-4-甲氧基-2-硝基苯甲酸
  参考文献：
  名称：

  关于强心剂的研究。I.一些喹唑啉衍生物的合成。

  摘要：

  合成了一系列在4-位具有多个4-杂环基哌啶子基的喹唑啉衍生物，并测试了其在麻醉犬中的强心活性。其中，几种6,7-二甲氧基喹唑啉衍生物显示强效的强心活性。

  DOI：

  10.1248/cpb.38.1591

文献信息

• Design of photonic liquid crystal materials: synthesis and evaluation of new chiral thioindigo dopants designed to photomodulate the spontaneous polarization of ferroelectric liquid crystals
  作者：Liviu Dinescu、Kenneth E. Maly、Robert P. Lemieux

  DOI：10.1039/a903052b

  日期：——

  Irradiation of a ferroelectric S C * liquid crystal phase induced by the photochromic dopants (R,R)-6,6′-bis(2-octyloxy)-5,5′-dinitrothioindigo and (R,R)-5,5′-dichloro-6,6′-bis(2-octyloxy)thioindigo at λ=514 and 532 nm, respectively, causes an increase in spontaneous polarization (P S ) by a factor ranging from 1.4 to 4.0. This increase in P S is achieved without concomitant destabilization of the S C * phase, and is consistent with an increase in transverse dipole moment of the thioindigo core as a result of trans-cis photoisomerization. The contribution of the thioindigo core towards P S is achieved through stereo-polar coupling with the chiral side-chains, which is enhanced by the presence of the nitro and chloro substituents.

  由光致变色掺杂物 (R,R)-6,6′-bis(2-octyloxy)-5,5′-dinitrothioindigo 和 (R,R)-5,5′-dichloro-6,6′-bis(2-octyloxy)thioindigo 在波长 λ=514 和 532 nm 下照射，引起了铁电 S C * 液晶相自发极化 (P S ) 的增加，增幅范围从 1.4 到 4.0。P S 的这种增加是在不伴随 S C * 相不稳定化的情况下实现的，且与因顺-反光异构化导致的硫靛核心的横向偶极矩增加相一致。硫靛核心对 P S 的贡献是通过与手性侧链的立体极化耦合实现的，该耦合在硝基和氯取代基的存在下得到了增强。
• [EN] QUINAZOLINONE COMPOUNDS<br/>[FR] COMPOSÉS QUINAZOLINONE
  申请人：CEREPEUT INC

  公开号：WO2020176652A1

  公开（公告）日：2020-09-03

  New quinazolinone compounds are disclosed, as well as pharmaceutical compositions containing quinazolinones and methods for the treatment of diseases and conditions associated with mitochondrial dysfunction.

  揭示了新的喹唑啉酮化合物，以及含有喹唑啉酮的药物组合物和用于治疗与线粒体功能障碍相关的疾病和症状的方法。
• Photocleavable bioreactive agents
  申请人：The Trustees of Boston University

  公开号：US20030190680A1

  公开（公告）日：2003-10-09

  This invention relates to agents and conjugates that can be used to detect and isolate target components from complex mixtures such as nucleic acids from biological samples, cells from bodily fluids, and nascent proteins from translation reactions. Agents comprise a detectable moiety bound to a photoreactive moiety. Conjugates comprise agents coupled to substrates by covalent bounds which can be selectively cleaved with the administration of electromagnetic radiation. Targets substances labeled with detectable molecules can be easily identified and separated from a heterologous mixture of substances. Exposure of the conjugate to radiation releases the target in a functional form and completely unaltered. Using photocleavable molecular precursors as the conjugates, label can be incorporated into macromolecules, the nascent macromolecules isolated and the label completely removed. The invention also relates to targets isolated with these conjugates which may be useful as pharmaceutical agents or compositions that can be administered to humans and other mammals. Useful compositions include biological agents such as nucleic acids, proteins, lipids and cytokines. Conjugates can also be used to monitor the pathway and half-life of pharmaceutical composition in vivo and for diagnostic, therapeutic and prophylactic purposes. The invention also relates to kits comprised of agents and conjugates that can be used for the detection of diseases, disorders and nearly any individual substance in a complex background of substances.

  本发明涉及用于检测和分离复杂混合物中的目标成分的试剂和共轭物。这些混合物可以包括生物样品中的核酸、体液中的细胞以及翻译反应中的新生蛋白质等。这些试剂包括一个可检测的基团和一个光敏反应基团。共轭物由试剂和底物通过共价键结合而成，可以通过电磁辐射的作用选择性地断裂。标记有可检测分子的目标物质可以轻松地从异种混合物中识别和分离。将光解分子前体作为共轭物，可以将标记合并到大分子中，然后分离新生大分子并完全去除标记。本发明还涉及用这些共轭物分离的目标物质，这些目标物质可能作为药物或组成物对人类和其他哺乳动物有用。有用的组成物包括核酸、蛋白质、脂类和细胞因子等生物试剂。共轭物还可以用于监测体内药物组成物的途径和半衰期，以及用于诊断、治疗和预防目的。本发明还涉及试剂和共轭物组成的试剂盒，可用于检测疾病、紊乱和几乎任何复杂背景物质中的个体物质。
• Diagnosing genetic disorders
  申请人：The Trustees of Boston University

  公开号：US20030162198A1

  公开（公告）日：2003-08-28

  This invention relates to agents and conjugates that can be used to detect and isolate target components from complex mixtures such as nucleic acids from biological samples, cells from bodily fluids, and nascent proteins from translation reactions. Agents comprise a detectable moiety bound to a photoreactive moiety. Conjugates comprise agents coupled to substrates by covalent bounds which can be selectively cleaved with the administration of electromagnetic radiation. Targets substances labeled with detectable molecules can be easily identified and separated from a heterologous mixture of substances. Exposure of the conjugate to radiation releases the target in a functional form and completely unaltered. Using photocleavable molecular precursors as the conjugates, label can be incorporated into macromolecules, the nascent macromolecules isolated and the label completely removed. The invention also relates to targets isolated with these conjugates which may be useful as pharmaceutical agents or compositions that can be administered to humans and other mammals. Useful compositions include biological agents such as nucleic acids, proteins, lipids and cytokines. Conjugates can also be used to monitor the pathway and half-life of pharmaceutical composition in vivo and for diagnostic, therapeutic and prophylactic purposes. The invention also relates to kits comprised of agents and conjugates that can be used for the detection of diseases, disorders and nearly any individual substance in a complex background of substances.

  本发明涉及用于检测和分离复杂混合物中的目标组分的试剂和结合物，例如来自生物样品的核酸，来自体液的细胞和来自翻译反应的新生蛋白质。试剂包括与光反应性基团结合的可检测基团。结合物包括试剂通过共价键耦合到基质上，可以通过电磁辐射的给药选择性地断裂的结合物。标记有可检测分子的目标物质可以很容易地从异源混合物中识别和分离。将结合物暴露于辐射下会以功能形式完全不变地释放目标物质。使用光解分子前体作为结合物，可以将标记合并到大分子中，分离新生大分子并完全去除标记。本发明还涉及使用这些结合物分离的目标物质，可用作可用于人类和其他哺乳动物的药物剂或组合物。有用的组合物包括生物制剂，如核酸，蛋白质，脂质和细胞因子。结合物还可用于监测体内药物组合物的途径和半衰期，并用于诊断，治疗和预防目的。本发明还涉及由试剂和结合物组成的试剂盒，可用于检测疾病，障碍和几乎任何复杂背景物质中的个体物质。
• Detecting targets in heterologous mixtures
  申请人：The Trustees of Boston University

  公开号：US20040053217A1

  公开（公告）日：2004-03-18

  This invention relates to agents and conjugates that can be used to detect and isolate target components from complex mixtures such as nucleic acids from biological samples, cells from bodily fluids, and nascent proteins from translation reactions. Agents comprise a detectable moiety bound to a photoreactive moiety. Conjugates comprise agents coupled to substrates by covalent bounds which can be selectively cleaved with the administration of electromagnetic radiation. Targets substances labeled with detectable molecules can be easily identified and separated from a heterologous mixture of substances. Exposure of the conjugate to radiation releases the target in a functional form and completely unaltered. Using photocleavable molecular precursors as the conjugates, label can be incorporated into macromolecules, the nascent macromolecules isolated and the label completely removed. The invention also relates to targets isolated with these conjugates which may be useful as pharmaceutical agents or compositions that can be administered to humans and other mammals. Useful compositions include biological agents such as nucleic acids, proteins, lipids and cytokines. Conjugates can also be used to monitor the pathway and half-life of pharmaceutical composition in vivo and for diagnostic, therapeutic and prophylactic purposes. The invention also relates to kits comprised of agents and conjugates that can be used for the detection of diseases, disorders and nearly any individual substance in a complex background of substances.

  本发明涉及一种可用于检测和分离复杂混合物中的目标成分的试剂和共轭物，例如来自生物样本的核酸、来自体液的细胞和来自翻译反应的新生蛋白质。试剂包括结合到光反应性基团的可检测基团。共轭物包括通过共价键结合到基质的试剂，可以通过电磁辐射的给予选择性断裂。标记有可检测分子的目标物质可以轻松地从异种混合物中识别和分离。将光裂解的分子前体作为共轭物，标签可以被纳入大分子中，新生大分子可以被分离并完全去除标签。本发明还涉及使用这些共轭物分离的目标物质，这些物质可能作为药物或组成物对人类和其他哺乳动物有用。有用的组成物包括核酸、蛋白质、脂质和细胞因子等生物试剂。共轭物还可用于监测体内药物组成物的途径和半衰期，并用于诊断、治疗和预防目的。本发明还涉及试剂和共轭物组成的试剂盒，可用于检测疾病、障碍和几乎任何复杂背景物质中的个体物质。