2-amino-4-(4-fluorophenyl)-8-(2-morpholinoethoxy)-5H-indeno[1,2-d]pyrimidin-5-one | 1229021-54-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-amino-4-(4-fluorophenyl)-8-(2-morpholinoethoxy)-5H-indeno[1,2-d]pyrimidin-5-one
• 英文别名: 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one
• CAS: 1229021-54-8
• 化学式: C₂₃H₂₁FN₄O₃
• 分子量: 420.443
• InChiKey: PQWQKWNXFNDECT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  90.6
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 、 2-amino-4-(4-fluorophenyl)-8-hydroxy-5H-indeno[1,2-d]pyrimidin-5-one 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-amino-4-(4-fluorophenyl)-8-(2-morpholinoethoxy)-5H-indeno[1,2-d]pyrimidin-5-one
  参考文献：
  名称：

  Optimization of arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  Two reactive metabolites were identified in vivo for the dual A(2A)/A(1) receptor antagonist 1. Two strategies were implemented to successfully mitigate the metabolic liabilities associated with 1. Optimization of the arylindenopyrimidines led to a number of amide, ether, and amino analogs having comparable in vitro and in vivo activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.024

文献信息

• ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a
  申请人：SHOOK Brian C.

  公开号：US20090111804A1

  公开（公告）日：2009-04-30

  This invention relates to novel arylindenopyrimidines A, B, and C, and their therapeutic and prophylactic uses. Disorders treated and/or prevented using these compounds include Parkinson's Disease.

  这项发明涉及新型芳基茚并嘧啶类化合物A、B和C，以及它们的治疗和预防用途。使用这些化合物治疗和/或预防的疾病包括帕金森病。
• ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2220053B1

  公开（公告）日：2011-05-11
• [EN] ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS<br/>[FR] ARYLINDÉNOPYRIMIDINES ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DE RÉCEPTEUR A2A D'ADÉNOSINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009055548A1

  公开（公告）日：2009-04-30

  This invention relates to novel arylindenopyrimidines A, B, and C, and their therapeutic and prophylactic uses. Disorders treated and/or prevented using these compounds include Parkinson's Disease.Formula (I).