6-[(benzyloxy)amino]-1H-purine | 33623-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-[(benzyloxy)amino]-1H-purine
• 英文别名: N⁶-benzyloxyadenine；O-benzyl-N-(9H-purin-6-yl)-hydroxylamine；N6-benzyloxyadenine；N-phenylmethoxy-7H-purin-6-amine
• CAS: 33623-70-0
• 化学式: C₁₂H₁₁N₅O
• 分子量: 241.252
• InChiKey: BAJXSYQUGGWLJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  75.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-[(benzyloxy)amino]-1H-purine 在 palladium on activated charcoal 氢气 作用下， 以 二甲基亚砜 为溶剂， 20.0~80.0 ℃ 、101.33 kPa 条件下， 反应 25.5h， 生成 6-Hydroxy-8,9-dihydro-6H-2,3,5,6,9a-pentaaza-benzo[cd]azulen-7-one
  参考文献：
  名称：

  9-取代的四氢二氮杂吡啶嘌呤-天冬氨酸A类似物的合成

  摘要：

  阿斯马林是海洋生物碱，具有独特的四氢[1,4]二氮杂卓-[1,2,3- g，h ]嘌呤（THDAP）结构和有趣的生物学特性。THDAP系统的制备采用了三种综合方法。研究了嘌呤中的几个N-9保护基。从15种NH HMBC实验中对几种化合物测得的15 N化学位移已得到报道，证明了各种结构特征对15 N共振的影响。

  DOI：

  10.1016/s0040-4020(03)01058-5
• 作为产物：
  描述：

  苄氧基胺盐酸盐 、 6-氯嘌呤 在 N,N-二异丙基乙胺 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 以48%的产率得到6-[(benzyloxy)amino]-1H-purine
  参考文献：
  名称：

  Anti-malarial activity of N6-modified purine analogues

  摘要：

  Plasmodium falciparum causes one of the deadliest forms of malaria and resistance to the currently available drugs makes it imperative to develop new, safe and potent drugs. Parasites such as P. falciparum are unable to synthesise purines de novo and to this end often have multiple purine uptake and salvage systems. With this in mind, we have designed and synthesised libraries of purine analogues as potential anti-malarial agents. Herein, we report three compounds with promising activity against the highly chloroquine-resistant VS1 P. falciparum namely: N-6-hydroxyadenine (1c), 2-amino-N-6-aminoadenosine (2b) and 2-amino-N-6-amino-N-6-methyladenosine (4b). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.05.038

文献信息

• Composite organic-inorganic nanoparticles and methods for use thereof
  申请人：Su Xing

  公开号：US20050142567A1

  公开（公告）日：2005-06-30

  Composite organic-inorganic nanoparticles (COIN) and clusters of such nanoparticles are provided that produce surface-enhanced Raman signals when excited by a laser. The nanoparticles include metallic colloids and a Raman-active organic compound. The metal required for achieving a suitable SERS signal is inherent in the nanoparticle, and a wide variety of Raman-active organic compounds can be incorporated into the particle. Methods for producing the nanoparticles and clusters of nanoparticles are also provided. In addition, polymeric microspheres containing the nanoparticles and clusters of nanoparticles and methods of making them are also provided. Methods for using the nanoparticles, clusters, and microspheres in assays for multiplex detection of biological molecules do not require signal amplification techniques.

  提供的有机-无机复合纳米粒子（COIN）和此类纳米粒子簇在激光激发下可产生表面增强拉曼信号。这些纳米粒子包括金属胶体和具有拉曼活性的有机化合物。获得合适的 SERS 信号所需的金属是纳米颗粒所固有的，而各种拉曼活性有机化合物都可以加入颗粒中。还提供了生产纳米粒子和纳米粒子簇的方法。此外，还提供了含有纳米粒子和纳米粒子簇的聚合物微球及其制造方法。在生物分子多重检测试验中使用纳米颗粒、簇和微球的方法不需要信号放大技术。
• Methods and devices for using Raman-active probe constructs to assay biological samples
  申请人：Su Xing

  公开号：US20050148100A1

  公开（公告）日：2005-07-07

  Various methods of using Raman-active or SERS-active probe constructs to detect analytes in biological samples, such as the protein-containing analytes in a body fluid are provided. The probe moieties in the Raman-active constructs are selected to bind to and identify specific known analytes in the biological sample or the probe moieties are designed to chemically interact with functional groups commonly found in certain amino acids so that the invention methods provide information about the amino acid composition of protein-containing analytes or fragments in the samples. In some cases, the Raman-active or SERS-active probe constructs, when used in the invention methods, can identify particular protein-containing analytes or types of such analytes so that a protein profile of a patient sample can be made. When compared to a data base of Raman or SERS spectra of normal samples, a disease state of a patient can be identified using the methods disclosed.

  提供了使用拉曼活性或 SERS 活性探针构建体检测生物样品中的分析物（如体液中的含蛋白质分析物）的各种方法。拉曼活性构建体中的探针分子被选中与生物样品中的特定已知分析物结合并进行识别，或者探针分子被设计成与某些氨基酸中常见的官能团发生化学作用，这样本发明方法就能提供样品中含有蛋白质的分析物或片段的氨基酸组成信息。在某些情况下，拉曼活性或 SERS 活性探针构建体在本发明方法中使用时，可以识别特定的含蛋白质分析物或此类分析物的类型，从而制作患者样本的蛋白质图谱。当与正常样本的拉曼光谱或 SERS 光谱数据库进行比较时，就可以使用所公开的方法确定患者的疾病状态。
• Composite organic-inorganic nanoclusters
  申请人：Su Xing

  公开号：US20050191665A1

  公开（公告）日：2005-09-01

  Composite organic-inorganic nanoclusters (COINs) are provided that produce surface-enhanced Raman signals (SERS) when excited by a laser. The nanoclusters include metal particles and a Raman-active organic compound. The metal required for achieving a suitable SERS signal is inherent in the nanocluster and a wide variety of Raman-active organic compounds and combinations thereof can be incorporated into the nanocluster. In addition, polymeric microspheres containing the nanoclusters and methods of making them are also provided. The nanoclusters and microspheres can be used, for example, in assays for multiplex detection of biological molecules.

  提供的有机-无机复合纳米团簇（COINs）在激光激发下可产生表面增强拉曼信号（SERS）。纳米团簇包括金属颗粒和拉曼活性有机化合物。获得合适 SERS 信号所需的金属是纳米团簇所固有的，各种拉曼活性有机化合物及其组合都可以加入纳米团簇中。此外，还提供了含有纳米簇的聚合物微球及其制造方法。例如，纳米团簇和微球可用于生物分子的多重检测。
• Methods for using Raman spectroscopy to obtain a protein profile of a biological sample
  申请人：Su Xing

  公开号：US20050250159A1

  公开（公告）日：2005-11-10

  The invention provides methods for analyzing the protein content of a biological sample, for example to obtain a protein profile of a sample provided by a particular individual. The proteins and protein fragments in the sample are separated on the basis of chemical and/or physical properties and maintained in a separated state at discrete locations on a solid substrate or within a stream of flowing liquid. Raman spectra are then detected as produced by the separated proteins or fragments at the discrete locations such that a spectrum from a discrete location provides information about the structure or identity of one or more particular proteins or fragments at the discrete location. The proteins or fragments at discrete locations can be coated with a metal, such as gold or silver, and/or the separated proteins can be contacted with a chemical enhancer to provide SERS spectra. Method and kits for practicing the invention are also provided.

  本发明提供了分析生物样本中蛋白质含量的方法，例如获得由特定个体提供的样本的蛋白质概况。样品中的蛋白质和蛋白质片段根据化学和/或物理特性进行分离，并在固体基底上或流动液体流中的离散位置保持分离状态。然后检测分离的蛋白质或片段在离散位置产生的拉曼光谱，这样来自离散位置的光谱就能提供有关离散位置的一种或多种特定蛋白质或片段的结构或特性的信息。离散位置的蛋白质或片段可以涂上金属，如金或银，和/或分离的蛋白质可以与化学增强剂接触，以提供 SERS 光谱。此外，还提供了实施本发明的方法和试剂盒。
• Multiplexed detection of analytes in fluid solution
  申请人：Sun Lei

  公开号：US20060033910A1

  公开（公告）日：2006-02-16

  Methods and devices for solution-based detection of molecular and cellular analytes in a sample using composite organic-inorganic nanoclusters (COINs) are provided. The nanoclusters include metallic colloids and a Raman-active organic compound. A metal that enhances the Raman signal from the organic compound is inherent in the nanoparticle. Since a wide variety of Raman-active organic compounds can be incorporated into the particle, highly parallel analyte detection can be performed.

  提供了利用有机-无机复合纳米团簇（COINs）基于溶液检测样品中分子和细胞分析物的方法和装置。纳米团簇包括金属胶体和具有拉曼活性的有机化合物。纳米颗粒中固有的金属可增强来自有机化合物的拉曼信号。由于可以在颗粒中加入多种具有拉曼活性的有机化合物，因此可以进行高度平行的分析检测。