2-(1-naphthalenyl)-1H-pyrido[3,2-d][1,3]oxazin-4-one | 870762-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(1-naphthalenyl)-1H-pyrido[3,2-d][1,3]oxazin-4-one
• 英文别名: 2-(1-naphthalenyl)-H-pyrido[3,2-d][1,3]oxazin-4-one；2-(1-naphthyl)-4H-pyrido[3,2-d][1,3]oxazin-4-one；2-(1-naphthalenyl)-4H-pyrido[3,2-d][1,3]oxazin-4-one；2-naphthalen-1-ylpyrido[3,2-d][1,3]oxazin-4-one
• CAS: 870762-08-6
• 化学式: C₁₇H₁₀N₂O₂
• 分子量: 274.279
• InChiKey: OINCNOOVPFDMMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  468.1±14.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氨甲基四氢吡喃 、 2-(1-naphthalenyl)-1H-pyrido[3,2-d][1,3]oxazin-4-one 以provided the title compound (139 mg, 90%)的产率得到3-[(1-naphthalenylcarbonyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-2-pyridinecarboxamide
  参考文献：
  名称：

  Therapeutic Compounds: Pyridine as Scaffold

  摘要：

  式I的化合物或其药学上可接受的盐：其中R1，R2，R3，R4，n和A的定义如规范中所述，以及包括该化合物的盐和制备的药物组合物。它们在治疗中有用，特别是在疼痛管理方面。

  公开号：

  US20070225292A1
• 作为产物：
  描述：

  3-氨基吡啶-2-羧酸 、 1-萘甲酰氯 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 1.0h， 生成 2-(1-naphthalenyl)-1H-pyrido[3,2-d][1,3]oxazin-4-one
  参考文献：
  名称：

  [EN] THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE SCAFFOLD
  [FR] COMPOSES THERAPEUTIQUES AVEC ECHAFAUDAGE PYRIDINE N OXYDE

  摘要：

  化学式为I的化合物或其药学上可接受的盐：其中R1、R2、R3、R4、m和n如规范中所定义，以及制备该化合物的盐和药物组成物。它们在治疗中有用，特别是在疼痛管理方面。

  公开号：

  WO2005115987A1

文献信息

• [EN] THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD<br/>[FR] COMPOSES THERAPEUTIQUES DANS LESQUELS LA PYRIDINE EST UTILISEE COMME SQUELETTE
  申请人：ASTRAZENECA AB

  公开号：WO2005115986A1

  公开（公告）日：2005-12-08

  Compounds of formulas I, IA, and IB or IC or pharmaceutically acceptable salts thereof: wherein A, A1, A2, A3, A4, R2, R3, R4 and n are as defined in the specifications well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  其中A、A1、A2、A3、A4、R2、R3、R4和n的化合物的公式I、IA和IB或IC或其药学上可接受的盐：其中A、A1、A2、A3、A4、R2、R3、R4和n的定义如规范中所述，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。
• Discovery of Agonists of Cannabinoid Receptor 1 with Restricted Central Nervous System Penetration Aimed for Treatment of Gastroesophageal Reflux Disease
  作者：Alleyn T. Plowright、Karolina Nilsson、Madeleine Antonsson、Kosrat Amin、Johan Broddefalk、Jörgen Jensen、Anders Lehmann、Shujuan Jin、Stephane St-Onge、Mirosław J. Tomaszewski、Maxime Tremblay、Christopher Walpole、Zhongyong Wei、Hua Yang、Johan Ulander

  DOI：10.1021/jm301511h

  日期：2013.1.10

  Agonists of the cannabinoid receptor 1 (CB1) have been suggested as possible treatments for a range of medical disorders including gastroesophageal reflux disease (GERD). While centrally acting cannabinoid agonists are known to produce psychotropic effects, it has been suggested that the CB1 receptors in the periphery could play a significant role in reducing reflux. A moderately potent and highly lipophilic series of 2-aminobenzamides was identified through focused screening of GPCR libraries. Development of this series focused on improving potency and efficacy at the CB1 receptor, reducing lipophilicity and limiting the central nervous system (CNS) exposure while maintaining good oral absorption. Improvement of the series led to compounds having excellent potency at the CB1 receptor and high levels of agonism, good physical and pharmacokinetic properties, and low penetration into the CNS. A range of compounds demonstrated a dose-dependent inhibition of transient lower esophageal sphincter relaxations in a dog model.
• THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD
  申请人：AstraZeneca AB

  公开号：EP1756060A1

  公开（公告）日：2007-02-28
• Therapeutic Compounds: Pyridine N-Oxide Scaffold
  申请人：Liu Ziping

  公开号：US20070219254A1

  公开（公告）日：2007-09-20

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 , R 3 , R 4 , m and n are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.
• [EN] THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE SCAFFOLD<br/>[FR] COMPOSES THERAPEUTIQUES AVEC ECHAFAUDAGE PYRIDINE N OXYDE
  申请人：ASTRAZENECA AB

  公开号：WO2005115987A1

  公开（公告）日：2005-12-08

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R1, R2, R3, R4, m and n are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  化学式为I的化合物或其药学上可接受的盐：其中R1、R2、R3、R4、m和n如规范中所定义，以及制备该化合物的盐和药物组成物。它们在治疗中有用，特别是在疼痛管理方面。