N-[4-(7-二乙基氨基-4-甲基-2-氧代苯并吡喃-3-基)苯基]-2-碘乙酰胺 | 76877-34-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 中文名称: N-[4-(7-二乙基氨基-4-甲基-2-氧代苯并吡喃-3-基)苯基]-2-碘乙酰胺
• 英文名称: N-(4-(7-Diethylamino 4-methylcoumarin-3-yl)phenyl)iodoacetamide
• 英文别名: N-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]-2-iodoacetamide
• CAS: 76877-34-4
• 化学式: C₂₂H₂₃IN₂O₃
• 分子量: 490.3
• InChiKey: WIXAQXKQLNRFDF-UHFFFAOYSA-N

物化性质

• 沸点：
  658.2±55.0 °C(Predicted)
• 密度：
  1.531±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  5-氟脲嘧啶 、 N-[4-(7-二乙基氨基-4-甲基-2-氧代苯并吡喃-3-基)苯基]-2-碘乙酰胺 生成 N-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]-2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
  参考文献：
  名称：

  YOSHIDA, SHIGERU;URAKAMI, KOJI;KITO, MASAHIRO;TAKESHIMA, SHIGEO;HIROSE, S+, ANAL. CHIM. ACTA, 239,(1990) N, C. 181-187

  摘要：

  DOI：

文献信息

• PROTEIN AFFINITY TAG AND USES THEREOF
  申请人：Zomer-Elhadari Jamila Willhelmina

  公开号：US20140017797A1

  公开（公告）日：2014-01-16

  This invention concerns isotopically coded or non-isotopically coded affinity-tags for analysis of certain target molecules in complex samples, in particular for mass spectrometric analysis of proteomic samples. The affinity-tags have the following general formula X-SPACER-OPO 3 H 2 , wherein X is a functional group or moiety capable of reacting with a functional group of a protein, peptide, DNA, lipid, sugar and/or steroid. These phosphate affinity tags (‘PTAG’) are capable of high but reversible binding to metal-oxides like TiO 2 . Due to this property, tagged sample fractions can be isolated from non-tagged sample fraction by affinity chromatography. The binding of organophosphate to metal-oxides remains intact during multiple washings of preferably acidic solutions to remove non-specifically bound components. PTAG's are also envisaged wherein X is selected such that it is capable of binding proteins, peptides, nucleic acid molecules, lipids, carbohydrates, steroids and the like.

  这项发明涉及同位素编码或非同位素编码的亲和标签，用于分析复杂样本中的特定靶分子，特别是用于蛋白质组样本的质谱分析。这些亲和标签具有以下一般公式X-SPACER-OPO3H2，其中X是能够与蛋白质、肽、DNA、脂质、糖和/或类固醇的功能基团反应的官能团或基团。这些磷酸亲和标签（“PTAG”）能够高效但可逆地与氧化金属如TiO2结合。由于这种特性，通过亲和色谱可以将标记样品分离出非标记样品分数。有机磷酸盐与金属氧化物的结合在多次使用酸性溶液洗涤以去除非特异性结合组分时仍然保持完好。还可以设想PTAG的情况，其中X被选择为能够结合蛋白质、肽、核酸分子、脂质、碳水化合物、类固醇等的官能团。
• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• Methods and compositions related to nucleic acid binding assays
  申请人：Nubad, LLC

  公开号：US10203334B2

  公开（公告）日：2019-02-12

  Small molecule fluorescent probes for established drug targets such as nucleic acids including DNA and RNA has been developed and disclosed herein. These nucleic acid probes bind to multiple DNA and RNA structures, and to sites crucial for nucleic acid function, such as DNA and RNA major grooves. Displacement of the probes by other binders such as small molecule compounds and/or proteins illicits a fluorescence change in the probe that once detected and analyzed provide binding information of these other binders of interest. Similarly, changes in fluorescence upon binding of the probes to nucleic acid have been applied to screen nucleic acid of different sequence and conformation. The nucleic acid probes and method of uses disclosed herein are advantageously suitable for high-through put screening of libraries of small molecule compounds, proteins, and nucleic acids.

  本文开发并公开了针对核酸（包括 DNA 和 RNA）等既定药物靶点的小分子荧光探针。这些核酸探针与多种 DNA 和 RNA 结构以及对核酸功能至关重要的位点（如 DNA 和 RNA 主要沟槽）结合。探针被其他结合剂（如小分子化合物和/或蛋白质）置换后，探针的荧光会发生变化，这种变化一旦被检测和分析，就会提供这些其他相关结合剂的结合信息。同样，探针与核酸结合后的荧光变化也可用于筛选不同序列和构象的核酸。本文公开的核酸探针和使用方法非常适用于小分子化合物、蛋白质和核酸文库的高通量筛选。
• In situ detection of nucleotide variants in high noise samples, and compositions and methods related thereto
  申请人：Advanced Cell Diagnostics, Inc.

  公开号：US11078528B2

  公开（公告）日：2021-08-03

  The invention relates to methods of in situ detection of a nucleic acid variation of a target nucleic acid in a sample, including single nucleotide variations, multi-nucleotide variations or splice sites. The method can comprise the steps of contacting the sample with a probe that detects the nucleic acid variation or splice site and a neighbor probe; contacting the sample with pre-amplifiers that bind to the nucleic acid variation probe or splice site probe and neighbor probe, respectively; contacting the sample with a collaboration amplifier that binds to the pre-amplifiers; and contacting the sample with a label probe system, wherein hybridization of the components forms a signal generating complex (SGC) comprising a target nucleic acid with the nucleic acid variation or splice site, the probes and amplifiers; and detecting in situ signal from the SGC on the sample. The invention also provides samples, tissue slides, and kits relating to detection of nucleic acid variations, including single nucleotide variations, multi-nucleotide variations or splice sites, of a target nucleic acid.

  本发明涉及原位检测样品中目标核酸变异的方法，包括单核苷酸变异、多核苷酸变异或剪接位点。该方法可包括以下步骤：用检测核酸变异或剪接位点的探针和邻接探针接触样品；用分别与核酸变异探针或剪接位点探针和邻接探针结合的前置放大器接触样品；用与前置放大器结合的协作放大器接触样品；将样品与标记探针系统接触，其中各组分杂交形成信号发生复合物（SGC），该复合物由靶核酸与核酸变异或剪接位点、探针和放大器组成；检测样品上 SGC 的原位信号。本发明还提供了与检测核酸变异（包括目标核酸的单核苷酸变异、多核苷酸变异或剪接位点）有关的样品、组织切片和试剂盒。
• Chemical reagents and methods for detection and quantification of proteins in complex mixtures
  申请人：——

  公开号：US20040038319A1

  公开（公告）日：2004-02-26

  The invention provides a reagent comprising an affinity tag, a detectable moiety, a linker, an isotope tag and a reactive group. The invention also provides methods of using a reagent of the invention. The methods can be used to label a polypeptide in a sample by contacting a sample with a reagent of the invention under conditions allowing the reactive group to bind to one or more polypeptides in the sample. The invention additionally provides methods of isolating, identifying and quantifying a polypeptide in a sample. The invention further provides methods of diagnosing a disease using a reagent of the invention.

  本发明提供了一种试剂，该试剂由亲和性标签、可检测分子、连接体、同位素标签和反应基团组成。本发明还提供了使用本发明试剂的方法。在允许反应基团与样品中的一个或多个多肽结合的条件下，将样品与本发明的试剂接触，即可使用这些方法标记样品中的多肽。本发明还提供了分离、鉴定和量化样品中多肽的方法。本发明进一步提供了使用本发明试剂诊断疾病的方法。