2-Fluor-6-methylmercapto-purin | 653-99-6

• 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: 2-Fluor-6-methylmercapto-purin
• 英文别名: 2-Fluor-6-methylthio-purin；2-Fluoro-6-methylmercaptopurin；2-fluoro-6-methylsulfanyl-7(9)H-purine；2-fluoro-6-methylsulfanyl-7H-purine
• CAS: 653-99-6
• 化学式: C₆H₅FN₄S
• 分子量: 184.197
• InChiKey: ZWTOUWDBQXZJIT-UHFFFAOYSA-N

物化性质

• 沸点：
  265.1±50.0 °C(Predicted)
• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 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：
  5

反应信息

• 作为反应物：
  描述：

  N,N-二甲基乙酰胺 、 2-Fluor-6-methylmercapto-purin 在 叔丁基过氧化氢 、 potassium iodide 作用下， 反应 10.0h， 以92%的产率得到N-((2-fluoro-6-(methylthio)-9H-purin-9-yl)methyl)-N-methylacetamide
  参考文献：
  名称：

  Transition-Metal-Free N9-Amidoalkylation of Purines with N,N-Dialkylamides

  摘要：

  A novel method for the selective N9-amidoalkylation of purines using N,N-dialkylamides as alkylation reagents via activation of sp(3) C-H bond adjacent to an amide nitrogen atom has been developed in the presence of KI and tert-butyl hydroperoxide (TBHP). This method was simple to operate and provided series of purine derivatives in moderate to excellent yield.

  DOI：

  10.1055/s-0036-1588134

文献信息

• NOVEL KINASE MODULATORS
  申请人：MUTHUPPALANIAPPAN Meyyappan

  公开号：US20110118257A1

  公开（公告）日：2011-05-19

  The present invention provides PI3K protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供了PI3K蛋白激酶调节剂，其制备方法，含有它们的药物组合物，以及使用它们进行激酶介导的疾病或紊乱的治疗、预防和/或改善的方法。
• NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES
  申请人：NAGARATHNAM Dhanapalan

  公开号：US20120289496A1

  公开（公告）日：2012-11-15

  The present invention provides PI3K protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供了PI3K蛋白激酶调节剂，其制备方法，含有它们的药物组合物，以及使用它们进行治疗、预防和/或改善激酶介导的疾病或紊乱的方法。
• Selectfluor-Induced Oxidative Amination of N-Heteroaromatics with Purine
  作者：Haiyan Cao、Gary Histand、Dongen Lin

  DOI：10.1021/acs.joc.3c00149

  日期：2023.5.5

  An oxidative coupling reaction between purines and aromatic N-heterocycles was developed to synthesize a series of N-heteroaryl purine derivatives using Selectfluor as an oxidant at room temperature. This process uses a commercial oxidant, uses no base, metal, or other additives, is simple to carry out, and has a broad range of substrates.

  在室温下，使用 Selectfluor 作为氧化剂，开发了嘌呤与芳香族 N-杂环之间的氧化偶联反应，合成了一系列 N-杂芳基嘌呤衍生物。该工艺使用商业氧化剂，不使用碱、金属或其他添加剂，实施简单，适用底物范围广。
• Compounds as modulators of protein kinases
  申请人：Rhizen Pharmaceuticals SA

  公开号：US10220035B2

  公开（公告）日：2019-03-05

  The present invention provides PI3K protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供了 PI3K 蛋白激酶调节剂、制备方法、含有这些调节剂的药物组合物以及用它们治疗、预防和/或改善激酶介导的疾病或紊乱的方法。
• Substituted chromenones as modulators of protein kinases
  申请人：Rhizen Pharmaceuticals SA

  公开号：US10322130B2

  公开（公告）日：2019-06-18

  The present invention provides PI3K protein kinase modulators of formula wherein R, Cy1, R1, R2, L1 and Cy2 are as defined herein. The present invention also relates to methods of preparing compounds of formula (I) to pharmaceutical compositions containing them and to methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供式 PI3K 蛋白激酶调节剂，其中 R、Cy1、R1、R2、L1 和 Cy2 如本文所定义。 本发明还涉及制备式（I）化合物的方法、含有式（I）化合物的药物组合物以及用式（I）化合物治疗、预防和/或改善激酶介导的疾病或紊乱的方法。