2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate
• 英文别名: (2-amino-6-methylpyrimidin-4-yl) 4-methylbenzenesulfonate
• 化学式: C₁₂H₁₃N₃O₃S
• 分子量: 279.32
• InChiKey: ZVCBWTVASHNZEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-氟苯酚 、 2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate 反应 1.0h， 以66%的产率得到4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
  参考文献：
  名称：

  General synthesis of 4-aryloxy-6-methylpyrimidin-2-amines and their fragmentation under positive electrospray ionization

  摘要：

  A number of 4-aryloxy-6-methylpyrimidin-2-amines were synthesized by reaction of 2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate with phenols. The main fragmentation pathway of these compounds under positive electrospray ionization is decomposition of the heterocycle.

  DOI：

  10.1134/s1070428015100127
• 作为产物：
  描述：

  对甲苯磺酰氯 、 2-氨基-4-羟基-6-甲基嘧啶 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 生成 2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Synthesis, single-crystal exploration, and theoretical insights of arylsulfonylated 2-amino-6-methylpyrimidin derivatives

  摘要：

  DOI：

  10.1016/j.molstruc.2021.130789

文献信息

• SUBSTITUTED HETEROCYCLIC COMPOUNDS
  申请人：ZHUO Jincong

  公开号：US20100240671A1

  公开（公告）日：2010-09-23

  The present invention relates to substituted heterocyclic compounds of Formula I or XI: or pharmaceutically acceptable salts or N-oxides or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are histamine II4 receptor inhibitors useful in the treatment of histamine II4 receptor-associated conditions or diseases or disorders including, for example, inflammatory diseases or disorders, pruritus, and pain.

  本发明涉及式I或XI的取代杂环化合物： 或其药用可接受的盐或N-氧化物或季铵盐，其中所述成员在此提供，并且它们的组合物和使用方法，这些方法是组胺H24受体抑制剂，用于治疗组胺H24受体相关的疾病或疾病，包括例如炎症性疾病或疾病，瘙痒和疼痛。
• SUBSTITUTED HETEROCYLIC COMPOUNDS
  申请人：Incyte Corporation

  公开号：US20130296327A1

  公开（公告）日：2013-11-07

  The present invention relates to substituted heterocyclic compounds of Formula I or XI: or pharmaceutically acceptable salts or N-oxides or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are histamine H4 receptor inhibitors useful in the treatment of histamine H4 receptor-associated conditions or diseases or disorders including, for example, inflammatory diseases or disorders, pruritus, and pain.

  本发明涉及式I或式XI的取代杂环化合物：或其药学上可接受的盐或N-氧化物或季铵盐，其中成员构成在此提供，以及它们的组合物和使用方法，它们是组胺H4受体抑制剂，用于治疗组胺H4受体相关的疾病或疾病或疾病，包括例如，炎症性疾病或疾病，瘙痒和疼痛。
• Synthesis, single-crystal exploration, and theoretical insights of arylsulfonylated 2-amino-6-methylpyrimidin derivatives
  作者：Akbar Ali、Aleksey Kuznetsov、Muhammad Ashfaq、Muhammad Nawaz Tahir、Muhammad Khalid、Muhammad Imran、Ahmad Irfan

  DOI：10.1016/j.molstruc.2021.130789

  日期：2021.11
• US8481732B2
  申请人：——

  公开号：US8481732B2

  公开（公告）日：2013-07-09
• General synthesis of 4-aryloxy-6-methylpyrimidin-2-amines and their fragmentation under positive electrospray ionization
  作者：A. V. Erkin、O. S. Yuzikhin、V. I. Krutikov、Sh. S. Papinyan

  DOI：10.1134/s1070428015100127

  日期：2015.10

  A number of 4-aryloxy-6-methylpyrimidin-2-amines were synthesized by reaction of 2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate with phenols. The main fragmentation pathway of these compounds under positive electrospray ionization is decomposition of the heterocycle.