2-甲硫基-7H-嘌呤 | 33512-51-5

• 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: 2-甲硫基-7H-嘌呤
• 英文名称: 2-(methylthio)-9H-purine
• 英文别名: 2-(methylthio)purine；2-methylsulfanyl-7(9)H-purine；2-Methylthiopurin；2-methylsulfanyl-7H-purine
• CAS: 33512-51-5
• 化学式: C₆H₆N₄S
• 分子量: 166.206
• InChiKey: GEVCSRLIETZLTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲硫基-7H-嘌呤 在 potassium amide 作用下， 以 氨 为溶剂， 反应 70.0h， 以90%的产率得到2-氨基嘌呤
  参考文献：
  名称：

  The SNANRORC mechanism. 27. Occurrence of the SNANRORC mechanism in the amination of 2-substituted purines with potassium amide in liquid ammonia

  摘要：

  DOI：

  10.1021/jo01303a004
• 作为产物：
  描述：

  4-Amino-5-formamido-2-methyl-mercaptopyrimidin 生成 2-甲硫基-7H-嘌呤
  参考文献：
  名称：

  嘌呤研究。第一部分：对酸和碱的稳定性。溶解度。电离。与蝶啶的比较

  摘要：

  DOI：

  10.1039/jr9540002060

文献信息

• [EN] PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS<br/>[FR] DERIVES DE PURINE COMME AGONISTES DU RECEPTEUR D'ADENOSINE A3 ET A1
  申请人：US GOV HEALTH & HUMAN SERV

  公开号：WO2006031505A1

  公开（公告）日：2006-03-23

  Disclosed are (N)-methanocarba adenine nucleosides of the formula: [Formula] as highly potent A3 adenosine receptor agonists, pharmaceutical compositions comprising such nucleosides, and a method of use of these nucleosides, wherein R1-R6 are as defined in the specification. These nucleosides are contemplated for use in the treatment a number of diseases, for example, inflammation, cardiac ischemia, stroke, asthma, diabetes, and cardiac arrhythmias. The invention also provides compounds that are agonists of both A1 and A3 adenosine receptors for use in cardioprotection.

  揭示了一种公式为[N-甲烷卡巴腺嘌呤核苷]的高效A3腺苷受体激动剂，包括这种核苷的制药组合物，以及这些核苷的使用方法，其中R1-R6如规范中所定义。这些核苷被考虑用于治疗多种疾病，例如炎症、心肌缺血、中风、哮喘、糖尿病和心律失常。该发明还提供了既是A1受体又是A3受体激动剂的化合物，用于心脏保护。
• [EN] ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'ADÉNINE EN TANT QU'INHIBITEURS DE PROTÉINE KINASES
  申请人：BCI PHARMA

  公开号：WO2017191297A1

  公开（公告）日：2017-11-09

  The present invention relates to a compound suitable for use as a kinase inhibitor according to general formula (I) [compound (C), herein after], or the N- oxide, pharmaceutically acceptable salt, pharmaceutically acceptable solvate, or stereoisomer thereof, formula (I) wherein A, R1, R2, R3, R3', R4, R4', X, Y, Z, T are as defined in the claims. The invention further relates to an in vitro method of inhibiting protein kinase activity which comprises contacting a protein kinase with a compound of formula (I), or the N-oxide, pharmaceutically acceptable salt, pharmaceutically acceptable solvate, or stereoisomer thereof. The invention further relates to the compounds of formula (I) per se, as well as to their use as a medicament, and for use or in a method of treatment of a disease mediated by a protein kinase selected from cancer, inflammatory disorders, cardiovascular diseases, viral induced diseases, circulatory diseases, fibro-proliferative diseases and pain sensitization disorders.

  本发明涉及一种适用于作为激酶抑制剂的化合物，其符合一般式(I) [化合物(C)，以下简称]，或其N-氧化物、药学上可接受的盐、药学上可接受的溶剂，或其立体异构体，式(I)中A、R1、R2、R3、R3'、R4、R4'、X、Y、Z、T的定义如权利要求所述。本发明还涉及一种体外抑制蛋白激酶活性的方法，包括将蛋白激酶与式(I)的化合物，或其N-氧化物、药学上可接受的盐、药学上可接受的溶剂，或其立体异构体接触。本发明还涉及式(I)的化合物本身，以及其作为药物的用途，以及用于治疗由蛋白激酶介导的疾病的方法，所述疾病包括癌症、炎症性疾病、心血管疾病、病毒感染性疾病、循环系统疾病、纤维增殖性疾病和疼痛敏化性疾病。
• Synthesis of 2?-Deoxyisoinosine and Related 2?-Deoxyribonucleosides
  作者：Frank Seela、Yaoming Chen、Uwe Bindig、Zygmunt Kazimierczuk

  DOI：10.1002/hlca.19940770122

  日期：1994.2.9

  and pyrrolo[2,3-d]pyrimidine 2′-deoxyribonucleosides with methylthio (13a), chloro (13b), methoxy (9b), and oxo (2, 3) substituents at C(2) are prepared. They are obtained either via stereoselective nucleobase-anion glycosylation or by base transformation. A three-step synthesis of the unknown 2′-deoxyisoinosine (2) from 2′-deoxyguanosine (15) is described. Compound 2 as well as its 7-deazapurine derivative

  制备了在C（2）具有甲硫基（13a），氯（13b），甲氧基（9b）和氧代（2、3）取代基的各种2-取代的嘌呤和吡咯并[2,3 - d ]嘧啶2'-脱氧核糖核苷。它们可以通过立体选择性核碱基阴离子糖基化或碱基转化获得。描述了由2'-脱氧鸟苷（15）三步合成未知的2'-脱氧异肌氨酸（2）。化合物2及其7-脱氮嘌呤衍生物3显示强荧光。
• [EN] PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK<br/>[FR] INHIBITEURS DE DERIVES DE PURINE DE LA TYROSINE KINASE SYK
  申请人：NOVARTIS AG

  公开号：WO2001009134A1

  公开（公告）日：2001-02-08

  Compounds of formula (I) in free or salt form, where X, R?1, R2, R3 and R4¿ are as defined in the specification, their preparation and their use as pharmaceuticals, particularly for the treatment of inflammatory or obstructive airways disease.

  公式为（I）的化合物，无论是自由形式还是盐形式，其中X、R1、R2、R3和R4¿的定义如规范所述，它们的制备以及它们作为药物的用途，特别是用于治疗炎症或阻塞性呼吸道疾病。
• Nucleoside derivatives for treating hepatitis C virus infection
  申请人：Genelabs Technologies, Inc.

  公开号：US20040147464A1

  公开（公告）日：2004-07-29

  Disclosed are compounds, compositions and methods for treating hepatitis C virus infections.

  本文揭示了用于治疗丙型肝炎病毒感染的化合物、组合物和方法。