7-[4-(二甲氨基)苯基]蝶啶-4-胺 | 73384-14-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 中文名称: 7-[4-(二甲氨基)苯基]蝶啶-4-胺
• 英文名称: 7-(4-(dimethylamino)phenyl)pteridin-4-amine
• 英文别名: 4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-；7-[4-(dimethylamino)phenyl]pteridin-4-amine
• CAS: 73384-14-2
• 化学式: C₁₄H₁₄N₆
• 分子量: 266.305
• InChiKey: BBMVWQGQKWFSQH-UHFFFAOYSA-N

物化性质

• 沸点：
  497.2±45.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (4-Dimethylamino-phenyl)-glyoxal 、 4,5,6-三氨基嘧啶 以 1,4-二氧六环 、 水 为溶剂， 生成 7-[4-(二甲氨基)苯基]蝶啶-4-胺
  参考文献：
  名称：

  Discovery of 4-Amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin- 3-yl)pyrido[2,3-d]pyrimidine, an Orally Active, Non-Nucleoside Adenosine Kinase Inhibitor

  摘要：

  Adenosine (ADO) is an endogenous homeostatic inhibitory neuromodulator that reduces cellular excitability at sites of tissue injury and inflammation, inhibition of adenosine kinase (AK), the primary metabolic enzyme for ADO, selectively increases ADO concentrations at sites of tissue trauma and enhances the analgesic and antiinflammatory actions of ADO. Optimization of the high-throughput screening lead, 4-amino-7-aryl-substituted pteridine (5) (AK IC50 = 440 nM), led to the identification of compound 21 (4-amino-5-(3-bromophenyl)-7-(6-morpholino- pyridin-3-yl)pyrido [2,3-d]pyrimidine, ABT-702), a novel, potent (AK IC50 = 1.7 nM) non-nucleoside AK inhibitor with oral. activity in animal models of pain and inflammation.

  DOI：

  10.1021/jm000314x

文献信息

• BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE
  申请人：President and Fellows of Harvard College

  公开号：EP2513298A2

  公开（公告）日：2012-10-24
• US4187307A
  申请人：——

  公开号：US4187307A

  公开（公告）日：1980-02-05
• [EN] BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE<br/>[FR] COMPOSÉS PROMOUVANT LA RÉPLICATION DES CELLULES BÊTA ET MÉTHODES D'UTILISATION DE CES COMPOSÉS
  申请人：HARVARD COLLEGE

  公开号：WO2011075665A2

  公开（公告）日：2011-06-23

  In the invention provides for a method of stimulating or increasing β-cell replication or growth, by contacting a β-cell with an inhibitor of adenosine kinase (ADK), an inhibitor of S-Adenosylhomocysteine hydrolase (SAHH) or an activator of AMP activated protein kinase (AMPK).
• Discovery of 4-Amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin- 3-yl)pyrido[2,3-<i>d</i>]pyrimidine, an Orally Active, Non-Nucleoside Adenosine Kinase Inhibitor
  作者：Chih-Hung Lee、Meiqun Jiang、Marlon Cowart、Greg Gfesser、Richard Perner、Ki Hwan Kim、Yu Gui Gu、Michael Williams、Michael F. Jarvis、Elizabeth A. Kowaluk、Andrew O. Stewart、Shripad S. Bhagwat

  DOI：10.1021/jm000314x

  日期：2001.6.1

  Adenosine (ADO) is an endogenous homeostatic inhibitory neuromodulator that reduces cellular excitability at sites of tissue injury and inflammation, inhibition of adenosine kinase (AK), the primary metabolic enzyme for ADO, selectively increases ADO concentrations at sites of tissue trauma and enhances the analgesic and antiinflammatory actions of ADO. Optimization of the high-throughput screening lead, 4-amino-7-aryl-substituted pteridine (5) (AK IC50 = 440 nM), led to the identification of compound 21 (4-amino-5-(3-bromophenyl)-7-(6-morpholino- pyridin-3-yl)pyrido [2,3-d]pyrimidine, ABT-702), a novel, potent (AK IC50 = 1.7 nM) non-nucleoside AK inhibitor with oral. activity in animal models of pain and inflammation.