甲基2-氨基-6-甲氧基-4-嘧啶羧酸酯 | 365413-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 甲基2-氨基-6-甲氧基-4-嘧啶羧酸酯
• 英文名称: Methyl 2-amino-6-methoxypyrimidine-4-carboxylate
• CAS: 365413-28-1
• 化学式: C₇H₉N₃O₃
• 分子量: 183.167
• InChiKey: WSZAYLCQMYIFGC-UHFFFAOYSA-N

物化性质

• 沸点：
  387.2±45.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲基2-氨基-6-甲氧基-4-嘧啶羧酸酯 在 水 、 lithium hydroxide 、 盐酸 作用下， 反应 0.17h， 以98%的产率得到2-氨基-6-甲氧基-4-嘧啶羧酸
  参考文献：
  名称：

  Antagonists of the human A2A receptor. Part 6: Further optimization of pyrimidine-4-carboxamides

  摘要：

  Antagonists of the human A(2A) receptor have been reported to have potential therapeutic benefit in the alleviation of the symptoms associated with neurodegenerative movement disorders such as Parkinson's disease. As part of our efforts to discover potent and selective antagonists of this receptor, we herein describe the detailed optimization and structure-activity relationships of a series of pyrimidine-4-carboxamides. These optimized derivatives display desirable physiochemical and pharmacokinetic profiles, which have led to promising oral activity in clinically relevant models of Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.078
• 作为产物：
  描述：

  甲醇 、 2-氨基-6-氯嘧啶-4-羧酸甲酯 在 盐酸 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 18.0h， 以93%的产率得到甲基2-氨基-6-甲氧基-4-嘧啶羧酸酯
  参考文献：
  名称：

  Antagonists of the human A2A receptor. Part 6: Further optimization of pyrimidine-4-carboxamides

  摘要：

  Antagonists of the human A(2A) receptor have been reported to have potential therapeutic benefit in the alleviation of the symptoms associated with neurodegenerative movement disorders such as Parkinson's disease. As part of our efforts to discover potent and selective antagonists of this receptor, we herein describe the detailed optimization and structure-activity relationships of a series of pyrimidine-4-carboxamides. These optimized derivatives display desirable physiochemical and pharmacokinetic profiles, which have led to promising oral activity in clinically relevant models of Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.078

文献信息

• 2-Hydroxy-mutilin carbamate derivatives for antibacterial use
  申请人：——

  公开号：US20030114674A1

  公开（公告）日：2003-06-19

  1 2-(S)-hydroxymutilin carbamate derivatives of formula (I), in which R 1 is a 5- or 6-membered optionally substituted heteroaryl group; and R 2 is vinyl or ethyl, are useful in the treatment of bacterial infections.

  公式（I）中的12-(S)-羟基木替林氨甲酸酯衍生物，其中R1是5-或6-成员的可选择取代的杂环芳基基团; R2是乙烯基或乙基，可用于治疗细菌感染。
• 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE
  申请人：SmithKline Beecham p.l.c.

  公开号：EP1268443A1

  公开（公告）日：2003-01-02
• US6972297B2
  申请人：——

  公开号：US6972297B2

  公开（公告）日：2005-12-06
• [EN] 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE<br/>[FR] DÉRIVÉS DE 2-(S)-HYDROXYMUTILINE CARBAMATE POUR UTILISATION ANTIBACTÉRIENNE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2001074788A1

  公开（公告）日：2001-10-11

  2-(S)-hydroxymutilin carbamate derivatives of formula (I), in which R1 is a 5- or 6-membered optionally substituted heteroaryl group; and R2 is vinyl or ethyl, are useful in the treatment of bacterial infections.
• Antagonists of the human A2A receptor. Part 6: Further optimization of pyrimidine-4-carboxamides
  作者：Roger J. Gillespie、Samantha J. Bamford、Alex Clay、Suneel Gaur、Tim Haymes、Philip S. Jackson、Allan M. Jordan、Burkhard Klenke、Stefania Leonardi、Jeanette Liu、Howard L. Mansell、Sean Ng、Mona Saadi、Heather Simmonite、Gemma C. Stratton、Richard S. Todd、Douglas S. Williamson、Ian A. Yule

  DOI：10.1016/j.bmc.2009.07.078

  日期：2009.9

  Antagonists of the human A(2A) receptor have been reported to have potential therapeutic benefit in the alleviation of the symptoms associated with neurodegenerative movement disorders such as Parkinson's disease. As part of our efforts to discover potent and selective antagonists of this receptor, we herein describe the detailed optimization and structure-activity relationships of a series of pyrimidine-4-carboxamides. These optimized derivatives display desirable physiochemical and pharmacokinetic profiles, which have led to promising oral activity in clinically relevant models of Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.