N(2)-苯基鸟嘌呤 | 40769-49-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: N(2)-苯基鸟嘌呤
• 英文名称: N²-phenylguanine 2,2,2-trifluoroacetate
• 英文别名: 9H-2-phenylamino-6-oxopurine；9H-N2-phenylguanine；N2-phenylguanine；2-anilino-3,7-dihydropurin-6-one
• CAS: 40769-49-1
• 化学式: C₁₁H₉N₅O
• 分子量: 227.225
• InChiKey: JDCULXHGRMPCAM-UHFFFAOYSA-N

物化性质

• 熔点：
  342-344 °C
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  N(2)-苯基鸟嘌呤 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以74%的产率得到6-chloro-N-phenyl-9H-purin-2-amine
  参考文献：
  名称：

  N2-Phenyldeoxyguanosine: a novel selective inhibitor of herpes simplex thymiding kinase

  摘要：

  A series of N2-substituted guanine derivatives was screened against mammalian thymidine kinase and the thymidine kinase encoded by type I herpes simplex virus to examine their capacity to selectivity inhibit the viral enzyme. Several bases, nucleosides, and nucleotides displayed selective activity. The mechanism of action of the most potent derivative, N2-phenyl-2'-deoxyguanosine (PhdG) was studied in detail. PhdG (a) inhibited the viral enzyme competitively with respect to the substrates thymidine and deoxycytidine, (b) was completely resistant to phosphorylation, (c) displayed limited toxicity for the HeLa cell lines employed as hosts for viral infection, and (d) selectively inhibited viral thymidine kinase function in intact cultured cells. The results indicate that the PhdG drug prototype has potential as a selective anti-herpes agent and as a novel molecular probe of the structure and function of herpes simplex thymidine kinase.

  DOI：

  10.1021/jm00403a004
• 作为产物：
  描述：

  2-硫代黄嘌呤 在 sodium hydroxide 作用下， 生成 N(2)-苯基鸟嘌呤
  参考文献：
  名称：

  Studies on Condensed Pyrimidine Systems. XIII. Some Amino-substituted Derivatives of Guanine and 6-Thioguanine

  摘要：

  DOI：

  10.1021/ja01582a060

文献信息

• Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK)
  申请人：CHEN Han-Min

  公开号：US20140303112A1

  公开（公告）日：2014-10-09

  The present invention relates to a method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) and the use of the compounds in the prevention or treatment of disease, including pre-diabetes, type 2 diabetes, syndrome X, metabolic syndrome and obesity.

  本发明涉及一种治疗疾病或病情的方法，该疾病或病情容易通过AMPK激活剂和公式化合物得到改善，这些化合物有助于激活AMP激活蛋白激酶（AMPK），并将这些化合物用于预防或治疗疾病，包括糖尿病前期、2型糖尿病、X综合症、代谢综合征和肥胖症。
• Trifluoroacetic Acid in 2,2,2-Trifluoroethanol Facilitates S_NAr Reactions of Heterocycles with Arylamines
  作者：Benoit Carbain、Christopher R. Coxon、Honorine Lebraud、Kristopher J. Elliott、Christopher J. Matheson、Elisa Meschini、Amy R. Roberts、David M. Turner、Christopher Wong、Celine Cano、Roger J. Griffin、Ian R. Hardcastle、Bernard T. Golding

  DOI：10.1002/chem.201304336

  日期：2014.2.17

  explore diverse sets of reaction conditions, and problems with product purification. In contrast, product isolation from TFA‐TFE reactions is straightforward: evaporation of the reaction mixture, basification and chromatography affords analytically pure material. A total of 45 examples are described with seven discrete heterocyclic scaffolds and 2‐, 3‐ and 4‐substituted anilines giving product yields

  小分子药物的发现需要可靠的合成方法，以将氨基化合物连接到杂环支架上。三氟乙酸-2,2,2-三氟乙醇（TFA-TFE）是实现S N的有效组合苯胺与杂环（例如嘌呤和嘧啶）之间的Ar反应被离去基团（氟，氯，溴或烷基磺酰基）取代。该方法提供了多种化合物，这些化合物含有与激酶有效抑制有关的“激酶特权片段”。TFE由于其低亲核性，易于去除和溶解极性底物的能力而成为有利的溶剂。此外，TFE可以通过使离去基团溶剂化来协助Meisenheimer-Jackson中间体的分解。TFA是必要且有效的酸性催化剂，它可以通过N质子化作用活化杂环，而不会通过转化为苯胺类物质而使苯胺失活。TFA-TFE方法与各种官能团兼容，并补充了有机金属替代品，由于试剂的昂贵，经常需要探索各种反应条件以及产物纯化的问题，这通常是不利的。相比之下，从TFA-TFE反应中分离产物非常简单：反应混合物的蒸发，碱化和色谱分离得到分析纯的物质
• RESIN COMPOSITION FOR SEMICONDUCTOR ENCAPSULATION, SEMICONDUCTOR DEVICE OBTAINED WITH THE SAME, AND PROCESS FOR PRODUCING SEMICONDUCTOR DEVICE
  申请人：Nitto Denko Corporation

  公开号：EP1203792A1

  公开（公告）日：2002-05-08

  The present invention provides a resin composition for semiconductor encapsulation excellent in reliability in humidity resistance and storage stability as well as in dischargeability and coatability. The resin composition for semiconductor encapsulation comprises: (A) an epoxy resin; (B) a phenolic resin; (C) a latent curing accelerator; and (D) an inorganic filler, and has a viscosity of 7,000 poise or more at 25°C and 5,000 poise or less at 80°C.

  本发明提供了一种用于半导体封装的树脂组合物，该组合物在防潮可靠性和储存稳定性以及放电性和涂覆性方面都非常出色。半导体封装用树脂组合物包括：(A) 环氧树脂；(B) 酚醛树脂；(C) 潜伏固化促进剂；(D) 无机填料，其粘度在 25°C 时为 7,000 poise 或以上，在 80°C 时为 5,000 poise 或以下。
• Methods of treating and/or preventing chronic obstructive pulmonary disease
  申请人：UNIVERSITE DE BORDEAUX

  公开号：US10813911B2

  公开（公告）日：2020-10-27

  The present invention relates to a novel composition or method of use for the treatment and/or the prevention of chronic obstructive pulmonary disease (COPD) and acute exacerbations of chronic obstructive pulmonary disease (AECOPDs).

  本发明涉及一种用于治疗和/或预防慢性阻塞性肺病（COPD）和慢性阻塞性肺病急性加重（AECOPDs）的新型组合物或使用方法。
• Branched polymeric biguanide compounds and their uses
  申请人：Chen Hwang-Hsing

  公开号：US11044912B2

  公开（公告）日：2021-06-29

  Biocidal branched polymeric biguanide compounds are made by polycondensation of sodium dicyanamide and a Afunctional primary amine and/or a tetrafunctional primary amine and optionally with a difunctional primary amine. The branched polymeric biguanide compounds have 2-dimensional conformation that provides better coverage over the surfaces of microorganisms and enhances efficacy as biocides as compared to most commercially available linear (one-dimensional) polymeric biguanide compounds. The bulkier 2-dimensional conformation of this invention limits the uptake, accumulation and release of these branched polymers to and from contact lenses. Therefore, these branched biguanide polymers can reduce the cytotoxicity, enhance compatibility and suitable for ophthalmic use. The highly branched polymers can be prepared with minimum or no difunctional primary amines. The lightly branched polymers can be prepared with of a minimum ratio of trifunctional plus multifunctional primary amines to difunctional primary amines.

  杀菌剂支链聚合双胍化合物是由双氰胺钠和乙官能团伯胺和/或四官能团伯胺以及二官能团伯胺缩聚而成。与大多数市售的线性（一维）聚合双胍化合物相比，支化聚合双胍化合物具有二维构象，能更好地覆盖微生物表面，提高杀菌剂的功效。本发明的二维构象较为笨重，限制了隐形眼镜对这些支链聚合物的吸收、积累和释放。因此，这些支化双胍聚合物可以降低细胞毒性，提高相容性，适合眼科使用。在制备高支化聚合物时，可尽量少用或不用双官能基伯胺。在制备轻支化聚合物时，三官能和多官能伯胺与双官能伯胺的比例可以达到最小。