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1-PYRENEACETICACIDNHS酯 | 188779-97-7

中文名称
1-PYRENEACETICACIDNHS酯
中文别名
——
英文名称
1-pyreneacetic acid N-hydroxysuccinimide ester
英文别名
1-Pyreneacetic acid, 2,5-dioxo-1-pyrrolidinyl ester;(2,5-dioxopyrrolidin-1-yl) 2-pyren-1-ylacetate
1-PYRENEACETICACIDNHS酯化学式
CAS
188779-97-7
化学式
C22H15NO4
mdl
——
分子量
357.365
InChiKey
KKEIWFGMPXHGPF-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    574.7±43.0 °C(Predicted)
  • 密度:
    1.44±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.9
  • 重原子数:
    27
  • 可旋转键数:
    4
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.14
  • 拓扑面积:
    63.7
  • 氢给体数:
    0
  • 氢受体数:
    4

反应信息

  • 作为反应物:
    描述:
    1-PYRENEACETICACIDNHS酯一水合肼 作用下, 以 四氢呋喃 为溶剂, 反应 1.0h, 以91%的产率得到1-pyreneacetic acid hydrazide
    参考文献:
    名称:
    基于金属诱导的carb碳酰肼水解的Cu 2 +-选择性开启荧光信号
    摘要:
    我们开发了一种基于1-pyrenecarbohydrazide(1)水解为1-pyrene羧酸的简单的Cu 2 +-选择性开启荧光信号探针。探头1表现出突出的荧光的Cu信令2+在10%的离子水Tris缓冲的(pH 7.0)中的DMSO溶液与5.93×10的检测极限-8  M.信令与来自pyreneacetic酸和芘丁酸表明衍生对照化合物随着酰肼官能团与the荧光团之间距离的增加,荧光信号减弱。在实际应用中,该探针用于测定模拟半导体废水中的Cu 2+。
    DOI:
    10.1016/j.tetlet.2017.06.038
  • 作为产物:
    描述:
    1-芘乙酸草酰氯三乙胺N,N-二甲基甲酰胺 作用下, 以 二氯甲烷 为溶剂, 反应 5.0h, 生成 1-PYRENEACETICACIDNHS酯
    参考文献:
    名称:
    基于金属诱导的carb碳酰肼水解的Cu 2 +-选择性开启荧光信号
    摘要:
    我们开发了一种基于1-pyrenecarbohydrazide(1)水解为1-pyrene羧酸的简单的Cu 2 +-选择性开启荧光信号探针。探头1表现出突出的荧光的Cu信令2+在10%的离子水Tris缓冲的(pH 7.0)中的DMSO溶液与5.93×10的检测极限-8  M.信令与来自pyreneacetic酸和芘丁酸表明衍生对照化合物随着酰肼官能团与the荧光团之间距离的增加,荧光信号减弱。在实际应用中,该探针用于测定模拟半导体废水中的Cu 2+。
    DOI:
    10.1016/j.tetlet.2017.06.038
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文献信息

  • Molecularly Imprinted Polymers as Antibody Mimics in Automated On-Line Fluorescent Competitive Assays
    作者:Javier L. Urraca、María C. Moreno-Bondi、Guillermo Orellana、Börje Sellergren、Andrew J. Hall
    DOI:10.1021/ac070277i
    日期:2007.7.1
    yields of 0.4-0.95), molecularly engineered to contain pyrene labels while keeping intact the 6-aminopenicillanic acid moiety for efficient recognition by the cross-linked polymers, have been tested as analyte analogues in the competitive assay. Pyrenemethylacetamido penicillanic acid (PAAP) was the tagged antibiotic providing for the highest selectivity when competing with PenG for the specific binding
    已经开发和优化了一种用于快速,灵敏地分析青霉素型β-内酰胺类抗生素(BLA)的基于分子印迹吸附剂的自动化分析(MIA)。使用青霉素G普鲁卡因盐作为模板(PENGp)和化学计算量的基于尿素的功能单体制备聚合物,以靶向模板分子中的单个氧阴离子物种。已在竞争性测定法中测试了高度荧光的竞争剂(发射量子产率为0.4-0.95),该分子经过分子工程设计以包含pyr标记,同时保留完整的6-氨基青松酸部分以被交联的聚合物有效识别,已作为分析物类似物进行了测试。yr甲基乙酰氨基青霉酸(PAAP)是标记的抗生素,当与PenG竞争分子印迹聚合物(MIP)中的特定结合位点时,具有最高的选择性。从MIP解吸后,PAAP产生的发射信号与样品中的抗生素浓度有关。青霉素G标准曲线的50%结合抑制浓度为1.81 x 10(-6)M PENG,检测极限为1.97 x 10(-7)M。传感器显示动态范围(在20至80%范围)从6
  • Molecular Engineering of Fluorescent Penicillins for Molecularly Imprinted Polymer Assays
    作者:Elena Benito-Peña、María C. Moreno-Bondi、Santiago Aparicio、Guillermo Orellana、Josefine Cederfur、Maria Kempe
    DOI:10.1021/ac051939b
    日期:2006.3.1
    The interaction of seven novel fluorescent labeled β-lactams with a library of six polymer materials molecularly imprinted (MI) with penicillin G (PenG) has been evaluated using both radioactive and fluorescence competitive assays. The highly fluorescent competitors (emission quantum yields of 0.4−0.95) have been molecularly engineered to contain pyrene or dansyl labels while keeping intact the 6-aminopenicillanic acid moiety for efficient recognition by the cross-linked polymers. Pyrenemethylacetamidopenicillanic acid (PAAP) is the tagged antibiotic that provides the highest selectivity when competing with PenG for the specific binding sites in a MI polymer prepared with methacrylic acid and trimethylolpropane trimethacrylate (10:15 molar ratio) in acetonitrile in the presence of PenG. Molecular modeling shows that recognition of the fluorescent analogues of PenG by the MI material is due to a combination of size and shape selectivity and demonstrates how critical the choice of label and tether chain is. PAAP has been applied to the development of a fluorescence competitive assay for PenG analysis with a dynamic range of 3−890 μM in 99:1 acetonitrile−water solution. Competitive binding studies demonstrate various degrees of cross-reactivity for some antibiotics derived from 6-aminopenicillanic acid, particularly amoxicillin, ampicillin, and penicillin V (but not oxacillin, cloxacillin, dicloxacillin, or nafcillin). Other antibiotics, such as chloramphenicol, tetracycline, or cephapirin, do not compete with PAAP for binding to the imprinted polymer. The MI assay has successfully been tested for PenG analysis in a pharmaceutical formulation.
    七种新型荧光标记的β-内酰胺与一种由青霉素G(PenG)分子印迹(MI)的六种聚合物材料库的相互作用,通过放射性和荧光竞争测定法进行了评估。这些荧光竞争者具有高荧光特性(发射量子产率为0.4−0.95),经过分子工程设计,含有芘或丹酰基标签,同时保持6-氨基青霉烷酸基团,以便能够有效被交联聚合物识别。芘甲基乙酰氨基青霉烷酸(PAAP)是标记的抗生素,在与PenG竞争在用丙烯酸和三羟甲基丙烷三甲基丙烯酸酯(10:15摩尔比)制备的MI聚合物的特定结合位点位竞争时,提供了最高的选择性,测试在含有PenG的乙腈中。分子模型表明,MI材料对PenG的荧光类似物的识别是由于尺寸和形状选择性的结合,并表明了标签和连接链选择的重要性。PAAP已被用于开发PenG分析的荧光竞争测定法,其动态范围为3−890 μM,在99:1乙腈−水溶液中。竞争结合研究表明,一些来源于6-氨基青霉烷酸的抗生素表现出不同程度的交叉反应性,特别是阿莫西林、氨苄西林和青霉素V(但非氧氟西林、克拉霉素、双克拉霉素或那福西林)。其他抗生素如氯霉素、四环素或头孢吡琳与PAAP在结合印迹聚合物时不发生竞争。该MI测定法已成功用于药物制剂中PenG的分析。
  • Development of a Novel and Automated Fluorescent Immunoassay for the Analysis of β-Lactam Antibiotics
    作者:Elena Benito-Peña、María C. Moreno-Bondi、Guillermo Orellana、Ángel Maquieira、Aart van Amerongen
    DOI:10.1021/jf0511502
    日期:2005.8.1
    optimized. An immunogen was prepared by coupling the common structure of the penicillanic beta-lactam antibiotics, i.e., 6-aminopenicillanic acid to keyhole limpet hemocyanin. Polyclonal antibodies raised in rabbits after immunization with this conjugate have been applied for the development of a competitive fluoroimmunoassay (FIA), using a novel fluorescent penicillin [2S,5R,6R]-3,3-dimethyl-7-oxo-6-[(py
    已经开发并优化了用于快速和灵敏分析青霉素型β-内酰胺类抗生素的自动免疫传感器。通过将青霉素β-内酰胺类抗生素(即6-氨基青霉酸)的常见结构与匙孔血蓝蛋白偶联来制备免疫原。使用新的荧光青霉素[2S,5R,6R] -3,3-二甲基-7-氧代-6- [(pyren-1ylacetyl)amino] -4-thia-1-azabicyclo [3.2.0]庚烷-2-羧酸,PAAP}作为示踪剂,青霉素G作为参考抗生素。共价结合至a内酯活化的聚合物支持物上的蛋白A / G用于定向捕获抗体-抗原免疫复合物。从免疫支持物中解吸后,PAAP-Ab复合物产生的发射信号与样品中的抗生素浓度有关。青霉素G标准曲线的50%结合抑制浓度为30 ng mL(-)(1),检测极限(10%结合抑制)为2.4 ng mL(-)(1),动态范围为6.0至191 ng mL(-)(1)(20-80%结合抑制)青霉素G。抗血清的
  • MASS SPECTROMETRY
    申请人:The Noguchi Institute
    公开号:EP1865312A1
    公开(公告)日:2007-12-12
    An object of the invention is to provide a method for enabling MSn (n>) analysis of a trace amount of a sample and easily and rapidly obtaining structural information by identifying a bonding position of the labeling compound in a molecule with the MSn (n>) analysis. According to the present invention, by labeling a particular moiety of the molecule in a stable manner, ions are easily generated and stabilized, thereby improving sensitivity of the MS. The amount of precursor ions generated in this manner is an amount enough to carry out the MSn (n>1) analysis and to generate structure-specific ions with high reproducibility. The structural information can be easily and rapidly obtained with high sensitivity.
    本发明的目的是提供一种方法,以便能够对痕量样品进行 MSn (n>)分析,并通过 MSn (n>)分析确定标记化合物在分子中的键合位置,从而方便快捷地获得结构信息。根据本发明,通过以稳定的方式标记分子中的特定分子,离子很容易产生和稳定,从而提高 MS 的灵敏度。以这种方式产生的前体离子量足以进行 MSn(n>1)分析,并能以较高的重现性产生结构特异性离子。这样就可以轻松、快速、高灵敏度地获得结构信息。
  • Synthesis, antimicrobial activity, attenuation of aminoglycoside resistance in MRSA, and ribosomal A-site binding of pyrene-neomycin conjugates
    作者:Sandra Story、Michael J. Skriba、Krishnagopal Maiti、Nihar Ranjan、Natalya N. Degtyareva、Keith D. Green、Verjine Khodaverdian、Adegboyega K. Oyelere、Sylvie Garneau-Tsodikova、Dev P. Arya
    DOI:10.1016/j.ejmech.2018.11.022
    日期:2019.2
    The development of new ligands that have comparable or enhanced therapeutic efficacy relative to current drugs is vital to the health of the global community in the short and long term. One strategy to accomplish this goal is to functionalize sites on current antimicrobials to enhance specificity and affinity while abating resistance mechanisms of infectious organisms. Herein, we report the synthesis of a series of pyreneneomycin B (PYR-NEO) conjugates, their binding affinity to A-site RNA targets, resistance to aminoglycoside-modifying enzymes (AMEs), and antibacterial activity against a wide variety of bacterial strains of clinical relevance. PYR-NEO conjugation significantly alters the affinities of NEO for bacterial A-site targets. The conjugation of PYR to NEO significantly increased the resistance of NEO to AME modification. PYR-NEO conjugates exhibited broad-spectrum activity towards Gram-positive bacteria, including improved activity against NEO-resistant methicillin-resistant Staphylococcus aureus (MRSA) strains. (C) 2018 Elsevier Masson SAS. All rights reserved.
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