ethyl 6-(3-methoxypropylamino)-5-nitropicolinate | 927186-08-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 6-(3-methoxypropylamino)-5-nitropicolinate
• 英文别名: Ethyl 6-(3-methoxypropyl amino)-5-nitropicolinate；ethyl 6-(3-methoxypropylamino)-5-nitropyridine-2-carboxylate
• CAS: 927186-08-1
• 化学式: C₁₂H₁₇N₃O₅
• 分子量: 283.284
• InChiKey: UZGOHURUUMOFNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 6-(3-methoxypropylamino)-5-nitropicolinate 在 sodium dithionite 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成
  参考文献：
  名称：

  Discovery of 2-aminoimidazopyridine adenosine A2A receptor antagonists

  摘要：

  A novel series of adenosine A(2A) receptor antagonists was identified by high-throughput screening of an encoded combinatorial compound collection. The initial hits were optimized for A(2A) binding affinity, A(1) selectivity, and in vitro microsomal stability generating orally available 2-aminoimidazo[4,5-b]pyridinebased A(2A) antagonist leads. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.08.064
• 作为产物：
  描述：

  6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine 、 乙醇 、 一氧化碳 在 bis-triphenylphosphine-palladium(II) chloride 、 三乙胺 作用下， 以37%的产率得到ethyl 6-(3-methoxypropylamino)-5-nitropicolinate
  参考文献：
  名称：

  Discovery of 2-aminoimidazopyridine adenosine A2A receptor antagonists

  摘要：

  A novel series of adenosine A(2A) receptor antagonists was identified by high-throughput screening of an encoded combinatorial compound collection. The initial hits were optimized for A(2A) binding affinity, A(1) selectivity, and in vitro microsomal stability generating orally available 2-aminoimidazo[4,5-b]pyridinebased A(2A) antagonist leads. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.08.064

文献信息

• 2-Aminoimidazopyridines for treating neurodegenerative diseases
  申请人：Cole Andrew G.

  公开号：US20080146536A1

  公开（公告）日：2008-06-19

  The invention relates to 2-aminoimidazopyridine derivatives useful in treating disorders that are mediated by A 2a receptor function, including neurodegenerative diseases including Parkinson's disease and inflammation. The compounds have general formula I:

  本发明涉及2-氨基咪唑吡啶衍生物，可用于治疗由A2a受体功能介导的疾病，包括神经退行性疾病，如帕金森病和炎症。该化合物具有通式I:
• WO2007/22305
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES<br/>[FR] 2-AMINOIMIDAZOPYRIDINES DESTINEES A TRAITER DES MALADIES NEURODEGENERATIVES
  申请人：PHARMACOPEIA DRUG DISCOVERY

  公开号：WO2007022305A2

  公开（公告）日：2007-02-22

  [EN] The invention relates to 2-aminoimidazopyridine derivatives useful in treating disorders that are mediated by A_2a receptor function, including neurodegenerative diseases including Parkinson's disease and inflammation. The compounds have general formula (I).
  [FR] L'invention concerne des dérivés de 2-amino-imidazopyridines utiles dans le traitement des troubles à médiation par une fonction de récepteur A_2a, y compris des maladies neurodégénératives telles que la maladie de Parkinson et l'inflammation. Les composés ont la formule générale suivante (I).
• Discovery of 2-aminoimidazopyridine adenosine A2A receptor antagonists
  作者：Brian F. McGuinness、Andrew G. Cole、Guizhen Dong、Marc-Raleigh Brescia、Yuefei Shao、Ian Henderson、Laura L. Rokosz、Tara M. Stauffer、Neelima Mannava、Earl F. Kimble、Catherine Hicks、Nicole White、Pamela G. Wines、Elizabeth Quadros

  DOI：10.1016/j.bmcl.2010.08.064

  日期：2010.11

  A novel series of adenosine A(2A) receptor antagonists was identified by high-throughput screening of an encoded combinatorial compound collection. The initial hits were optimized for A(2A) binding affinity, A(1) selectivity, and in vitro microsomal stability generating orally available 2-aminoimidazo[4,5-b]pyridinebased A(2A) antagonist leads. (C) 2010 Published by Elsevier Ltd.