JNJ-40255293 | 1147271-25-7

• 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: JNJ-40255293
• 英文别名: 2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one；2-amino-8-(2-morpholin-4-ylethoxy)-4-phenylindeno[1,2-d]pyrimidin-5-one
• CAS: 1147271-25-7
• 化学式: C₂₃H₂₂N₄O₃
• 分子量: 402.453
• InChiKey: BCDASHXLAMCATI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 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：
  7

反应信息

• 作为反应物：
  描述：

  JNJ-40255293 在 盐酸 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 2-amino-8-[2-(4-morpholinyl)ethoxy]-4-phenyl-5H-indeno-[1,2-d]pyrimidin-5-one dihydrochloride
  参考文献：
  名称：

  ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a

  摘要：

  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。

  公开号：

  US20090111804A1
• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 、 2-amino-8-hydroxy-4-phenyl-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 JNJ-40255293
  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 RECEPTOR ANTAGONISTS
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2220053A1

  公开（公告）日：2010-08-25
• Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders
  申请人：OXFORD UNIVERSITY INNOVATION LIMITED

  公开号：US20190111069A1

  公开（公告）日：2019-04-18

  The present invention relates to the use of adenosine receptor modulators to affect the circadian rhythm, in particular, to the use of such modulators for the treatment of circadian rhythm disorders. In particular, the invention relates to a composition comprising at least one selective adenosine receptor modulator, wherein said composition modulates two or three, but not all of adenosine receptor subtypes A 1 , A 2A , A 2B and/or A 3 for use in the treatment of circadian rhythm disorders or for modulating a biological clock.
• [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).
• Optimization of arylindenopyrimidines as potent adenosine A2A/A1 antagonists
  作者：Brian C. Shook、Stefanie Rassnick、Devraj Chakravarty、Nathaniel Wallace、Mark Ault、Jeffrey Crooke、J. Kent Barbay、Aihua Wang、Kristi Leonard、Mark T. Powell、Vernon Alford、Daniel Hall、Kenneth C. Rupert、Geoffrey R. Heintzelman、Kristen Hansen、James L. Bullington、Robert H. Scannevin、Karen Carroll、Lisa Lampron、Lori Westover、Ronald Russell、Shawn Branum、Kenneth Wells、Sandra Damon、Scott Youells、Derek Beauchamp、Xun Li、Kenneth Rhodes、Paul F. Jackson

  DOI：10.1016/j.bmcl.2010.03.024

  日期：2010.5

  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.
• 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。