7,9-dimethylguanine | 524-35-6

• 物质功能分类: 生物化工 - 核苷类药物 - 核苷酸及其类似物
• 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: 7,9-dimethylguanine
• 英文别名: 2-Ammonio-6,9-dihydro-7,9-dimethyl-6-oxo-1H-purinium；2-amino-7,9-dimethyl-1H-purin-9-ium-6-one
• CAS: 524-35-6
• 化学式: C₇H₁₀N₅O
• 分子量: 180.189
• InChiKey: NAIGKGQHPIGYBB-UHFFFAOYSA-O

物化性质

• 熔点：
  >281°C (dec.)
• 溶解度：
  DMSO（轻微、加热、超声处理）、甲醇（轻微、加热、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  trans-[(NH3)2Pt(1-methylthymine-N3)Cl] 、 sodium perchlorate 、 7,9-dimethylguanine 在 silver nitrate 作用下， 以 水 为溶剂， 以51.9%的产率得到trans-[(NH3)2Pt(7,9-dimethylguaninium-N1)(1-methylthymine-N3)]ClO4
  参考文献：
  名称：

  Hydrogen bonding patterns of 7,9-dimethylguanine and its transplatinum(II) complexes

  摘要：

  Methylation at the N7 position is one of the most frequently naturally occurring modifications of guanosine. This alteration drastically changes the hydrogen bonding and acid-base properties of the guanine nucleobase. Here we show on the example of the model nucleobase 7,9-dimethyl guanine that due to blockage of N7 of the purine ring, new hydrogen bonding patterns occur on the minor groove binding face of this nucleobase involving the ring nitrogen N3 and the exocyclic amino group N2H(2). The free 7,9-dimethylguaninium ion and several transplatinum(II) complexes of the this ligand are presented and discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00962-3

文献信息

• [EN] 5'-PHOSPHOROTHIOLATE MRNA 5'-END (CAP) ANALOGS, MRNA COMPRISING THE SAME, METHOD OF OBTAINING AND USES THEREOF<br/>[FR] ANALOGUES D'EXTRÉMITÉ 5' (COIFFE) D'ARNM 5'-PHOSPHOROTHIOLATE , ARNM LES COMPRENANT, LEUR PROCÉDÉ D'OBTENTION ET UTILISATIONS
  申请人：UNIV WARSZAWSKI

  公开号：WO2017130151A1

  公开（公告）日：2017-08-03

  The present invention relates to nucleotides, analogs of mRNA 5'-end (cap) containing sulfur atom at the position 5' of 7-methylguanosine nucleoside. The disclosed compounds are recognized (bound and non-hydrolyzed) by DcpS enzyme (Decapping Scavenger), and thus may find therapeutic use as inhibitors thereof. DcpS is cap-specific enzyme with pyrophosphatase activity, which was identified as a therapeutic target in the treatment of spinal muscular atrophy (SMA). Some of the compounds disclosed have additional modifications in the phosphate chain, wh ich modulate their affinity for DcpS enzyme. The present invention also relates to mRNAs modified at the 5' end with mRNA 5'-end (cap) analogs containing 5'- phosphorothiolate moiety, which mRNAs have an increased stability and translational activity in cellular conditions, to a method of their preparation, their uses, and to a pharmaceutical formulation containing them, wherein L1 and L2 are independently selected from the group comprising O and S, wherein at least one of L1 and L2 is not O.

  本发明涉及核苷酸，含有硫原子的mRNA 5'-端（帽子）的类似物，在7-甲基鸟苷核苷酸的5'位置。所公开的化合物被DcpS酶（去帽清道夫）识别（结合并不水解），因此可能作为其抑制剂在治疗中发挥作用。DcpS是帽子特异性酶，具有焦磷酸酶活性，已被确定为治疗脊髓性肌萎缩（SMA）的治疗靶点。所公开的一些化合物在磷酸链中具有额外的修饰，调节它们对DcpS酶的亲和力。本发明还涉及在mRNA的5'端修饰了含有5'-磷硫酸酯基团的mRNA 5'-端（帽子）类似物的mRNAs，这些mRNAs在细胞条件下具有增强的稳定性和翻译活性，以及它们的制备方法，用途和含有它们的制药配方，其中L1和L2分别选择自包括O和S的组中，其中至少一个L1和L2不是O。
• Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics
  申请人：Youngs Wiley

  公开号：US20070021401A1

  公开（公告）日：2007-01-25

  A method for inhibiting microbial growth comprises administering an effective amount of a silver complex of a N-heterocyclic amine. A method for treating cancer cells or a method for imaging one or more tissues of a patient includes administering an effective amount of a complex of a N-heterocyclic amine and a radioactive metal. A method for treating urinary tract infections utilizing silver complexes of N-heterocyclic carbenes. N-heterocyclic carbenes of the present invention may be represented by the formula wherein Z is a heterocyclic group, and R 1 and R 2 are, independently or in combination, hydrogen or a C 1 -C 12 organic group selected from the group consisting of alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aryl, arylalkyl, alkylaryl, heterocyclic, and alkoxy groups and substituted derivatives thereof.

  一种抑制微生物生长的方法包括给予有效量的N-杂环胺的银络合物。一种治疗癌细胞或成像患者一个或多个组织的方法包括给予有效量的N-杂环胺和放射性金属的络合物。一种利用N-杂环卡宾银络合物治疗尿路感染的方法。本发明的N-杂环卡宾可以用以下式表示，其中Z是杂环基，而R1和R2是独立或组合的氢或选择自烷基、环烷基、烯基、环烯基、炔基、芳基、芳基烷基、烷基芳基、杂环和烷氧基和其取代衍生物的C1-C12有机基。
• Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics
  申请人：Youngs Wiley J.

  公开号：US20080267867A1

  公开（公告）日：2008-10-30

  A method for inhibiting microbial growth comprises administering an effective amount of a silver complex of a N-heterocyclic amine. A method for treating cancer cells or a method for imaging one or more tissues of a patient includes administering an effective amount of a complex of a N-heterocyclic amine and a radioactive metal. N-heterocyclic carbenes of the present invention may be represented by formula (I) wherein Z is a heterocyclic group, and R 1 and R 2 are, independently or in combination, hydrogen or a C 1 -C 12 organic group selected from the group consisting of alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aryl, arylalkyl, alkylaryl, heterocyclic, and alkoxy groups and substituted derivatives thereof.

  一种抑制微生物生长的方法包括给予一种N-杂环胺的银络合物有效量。一种治疗癌细胞或成像患者的一个或多个组织的方法包括给予一种N-杂环胺和放射性金属的络合物有效量。本发明的N-杂环卡宾可以用式(I)表示，其中Z是一个杂环基团，R1和R2独立或组合地是氢或C1-C12有机基团，所述有机基团选自烷基，环烷基，烯基，环烯基，炔基，芳基，芳基烷基，烷基芳基，杂环和其取代衍生物。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS
  申请人：The University of Akron

  公开号：EP1660444A2

  公开（公告）日：2006-05-31