2-[3-(4-Methoxy-phenoxy)-propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one | 958356-62-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 2-[3-(4-Methoxy-phenoxy)-propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one
• 英文别名: 2-(3-(4-methoxyphenoxy)propoxy)pyrido[2,3-d]pyrimidin-4(3H)-one；2-[3-(4-methoxyphenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one
• CAS: 958356-62-2
• 化学式: C₁₇H₁₇N₃O₄
• 分子量: 327.34
• InChiKey: LAFAXHMHSJXTIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  82
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-chloropyrido[2,3-d]pyrimidin-4(3H)-one 、 3-(4-甲氧基苯氧基)丙醇 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 生成 2-[3-(4-Methoxy-phenoxy)-propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: Optimization of in vitro activity

  摘要：

  Pyrido pyrimidinones are selective agonists of the human high affinity niacin receptor GPR109A (HM74A). They show no activity on the highly homologous low affinity receptor GPR109B (HM74). Starting from a high throughput screening hit the in vitro activity of the pyrido pyrimidinones was significantly improved providing lead compounds suitable for further optimization. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.108

文献信息

• Novel pyridopyprimidinone derivatives which are HM74A agonists
  申请人：Conte Aurelia

  公开号：US20070275987A1

  公开（公告）日：2007-11-29

  The invention is concerned with novel pyridopyrimidinone derivatives of formula (I): wherein R 1 to R 8 , X, Y, m and n are as defined in the description and in the claims. The compounds of the present invention are HM74A agonists with improved properties compared to niacin and can be used for the treatment and/or prevention of diseases such as dyslipidemia, atherosclerosis, diabetes, metabolic syndrome, and other related diseases associated with HM74A.

  这项发明涉及式(I)的新型吡啶吡嘧啶酮衍生物：其中R1至R8、X、Y、m和n如描述和索赔中所定义。本发明的化合物是HM74A激动剂，与烟酸相比具有改进的性能，并可用于治疗和/或预防与HM74A相关的疾病，如脂质代谢异常、动脉粥样硬化、糖尿病、代谢综合征和其他与HM74A相关的疾病。
• PYRIDOPYRIMIDINONE DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2029601B1

  公开（公告）日：2010-06-02
• US7572801B2
  申请人：——

  公开号：US7572801B2

  公开（公告）日：2009-08-11
• [EN] PYRIDOPYRIMIDINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIDOPYRIMIDINONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2007134986A1

  公开（公告）日：2007-11-29

  [EN] The invention is concerned with novel pyridopyrimidinone derivatives of formula (I), wherein R¹ to R⁸, X, Y, m and n are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds are HM74A agonists and can be used as medicaments.
  [FR] L'invention concerne de nouveaux dérivés de pyridopyrimidinone de formule (I), où R¹ à R⁸, X, Y, m et n sont tels que définis dans la description et dans les revendications, ainsi que des sels et esters physiologiquement acceptables de ceux-ci. Ces composés sont des agonistes HM74A et peuvent être utilisés comme médicaments.
• [EN] GPR109A AGONISTS FOR THE TREATMENT OF CEREBRAL ISCHEMIA<br/>[FR] AGONISTES DE GPR109A POUR LE TRAITEMENT DE L'ISCHÉMIE CÉRÉBRALE
  申请人：UNIV RUPRECHT KARLS HEIDELBERG

  公开号：WO2011057110A1

  公开（公告）日：2011-05-12

  The present invention describes agonists for G Protein-coupled receptor 109A (GPR109A), compositions comprising the GPR109A agonists, and methods of using them. GPR109A agonists are used in methods for the treatment, prevention, and alleviation of an ischemic condition, such as cerebral ischemia.