6(4H)-boc-2-氨基-3,5,7,8-四氢-4-氧代-吡啶并[4,3-d]嘧啶 | 1000386-01-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 6(4H)-boc-2-氨基-3,5,7,8-四氢-4-氧代-吡啶并[4,3-d]嘧啶
• 英文名称: tert-butyl 2-amino-4-hydroxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
• 英文别名: tert-butyl 2-amino-4-hydroxy-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate；tert-Butyl 2-amino-4-oxo-3,4,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate；tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
• CAS: 1000386-01-5
• 化学式: C₁₂H₁₈N₄O₃
• 分子量: 266.3
• InChiKey: BNNJUQHXJUNHCU-UHFFFAOYSA-N

物化性质

• 沸点：
  429.2±55.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  97
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 储存条件：
  存储条件：2-8°C，干燥且密封。

反应信息

• 作为反应物：
  描述：

  6(4H)-boc-2-氨基-3,5,7,8-四氢-4-氧代-吡啶并[4,3-d]嘧啶 在 盐酸 、 potassium phosphate 、 亚硝酸特丁酯 、 palladium diacetate 、 三溴化锑 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 37.0h， 生成 2-chloro-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro[4,3-d]pyrimidine-6(5H)-carboxamide
  参考文献：
  名称：

  Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists

  摘要：

  A weak antagonist of the pyrimidinergic receptor P2Y(14) containing a dihydropyridopyrimidine core was identified through high-throughput screening. Subsequent optimization led to potent, non-UTP competitive antagonists and represent the first reported non-nucleotide antagonists of this receptor. Compound 18q was identified as a 10 nM P2Y(14) antagonist with good oral bioavailability and provided sufficient exposure in mice to be used as a tool for future in vivo studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.084
• 作为产物：
  描述：

  盐酸-4-哌啶酮-3-羧酸乙酯 在 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 3.0h， 生成 6(4H)-boc-2-氨基-3,5,7,8-四氢-4-氧代-吡啶并[4,3-d]嘧啶
  参考文献：
  名称：

  WO2009/87

  摘要：

  公开号：

文献信息

• SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY
  申请人：Guay Daniel

  公开号：US20100179173A1

  公开（公告）日：2010-07-15

  Fused pyrimidine compounds of structural formula (I) are effective as antagonists of the biological activity of the GPR105 protein. They are useful for the treatment, control or prevention of disorders responsive to antagonism of this receptor, such as diabetes, particularly, Type 2 diabetes, insulin resistance, hyperglycemia, lipid disorders, obesity, atherosclerosis, and Metabolic Syndrome.

  结构式（I）的融合嘧啶化合物对GPR105蛋白的生物活性具有拮抗作用。它们可用于治疗、控制或预防对此受体的拮抗反应性紊乱，如糖尿病，特别是2型糖尿病，胰岛素抵抗，高血糖，脂质紊乱，肥胖症，动脉粥样硬化和代谢综合征。
• 2-Amino-6-iodo-4-tosyloxypyrimidine: a versatile key intermediate for regioselective functionalization of 2-aminopyrimidines in 4- and 6-positions
  作者：Pascal Benderitter、João Xavier de Araújo Júnior、Martine Schmitt、Jean-Jacques Bourguignon

  DOI：10.1016/j.tet.2007.07.100

  日期：2007.12

  2-Amino-6-iodo-4-tosyloxypyrimidine, easily prepared from commercially available material, is a key intermediate for the preparation of differentially substituted 2-aminopyrimidines by means of sequenced Suzuki and/or Sonogashira reactions. (c) 2007 Elsevier Ltd. All rights reserved.
• Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists
  作者：Daniel Guay、Christian Beaulieu、Michel Belley、Sheldon N. Crane、Jeancarlo DeLuca、Yves Gareau、Martine Hamel、Martin Henault、Huda Hyjazie、Stacia Kargman、Chi Chung Chan、Lijing Xu、Robert Gordon、Lianhai Li、Yael Mamane、Nicolas Morin、Joseph Mancini、Michel Thérien、Geoffrey Tranmer、Vouy Linh Truong、Zhaoyin Wang、W. Cameron Black

  DOI：10.1016/j.bmcl.2011.03.084

  日期：2011.5

  A weak antagonist of the pyrimidinergic receptor P2Y(14) containing a dihydropyridopyrimidine core was identified through high-throughput screening. Subsequent optimization led to potent, non-UTP competitive antagonists and represent the first reported non-nucleotide antagonists of this receptor. Compound 18q was identified as a 10 nM P2Y(14) antagonist with good oral bioavailability and provided sufficient exposure in mice to be used as a tool for future in vivo studies. (C) 2011 Elsevier Ltd. All rights reserved.
• WO2009/87
  申请人：——

  公开号：——

  公开（公告）日：——