sodium 4-(naphthalene-2-yl)pyrimidin-2-olate | 1084835-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: sodium 4-(naphthalene-2-yl)pyrimidin-2-olate
• 英文别名: sodium;4-naphthalen-2-ylpyrimidin-2-olate
• CAS: 1084835-11-9
• 化学式: C₁₄H₉N₂O*Na
• 分子量: 244.228
• InChiKey: JMDBDELKZZOBML-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.63
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium 4-(naphthalene-2-yl)pyrimidin-2-olate 在 氯化亚砜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 生成 2-chloro-4-[2-naphthyl]pyrimidine
  参考文献：
  名称：

  HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM

  摘要：

  本发明涉及杂环芳基/芳基嘧啶类似物，制备芳基/杂环芳基嘧啶类似物的方法，包含芳基/杂环芳基嘧啶类似物的组合物，以及治疗与经典Wnt-β-连环蛋白细胞信息传递系统相关疾病的方法，包括向需要的受试者施用有效量的杂环芳基/芳基嘧啶类似物。

  公开号：

  US20080287452A1
• 作为产物：
  描述：

  sodium ethanolate 、 (2E)-3-(二甲氨基)-1-(萘-2-基)丙-2-烯-1-酮 、 尿素 以 乙醇 为溶剂， 生成 sodium 4-(naphthalene-2-yl)pyrimidin-2-olate
  参考文献：
  名称：

  HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM

  摘要：

  本发明涉及杂环芳基/芳基嘧啶类似物，制备芳基/杂环芳基嘧啶类似物的方法，包含芳基/杂环芳基嘧啶类似物的组合物，以及治疗与经典Wnt-β-连环蛋白细胞信息传递系统相关疾病的方法，包括向需要的受试者施用有效量的杂环芳基/芳基嘧啶类似物。

  公开号：

  US20080287452A1

文献信息

• NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM
  申请人：Pelletier Jeffrey Claude

  公开号：US20090054392A1

  公开（公告）日：2009-02-26

  The present invention relates to naphthylpyrimidine analogs, methods of making naphthylpyrimidine analogs, compositions comprising a naphthylpyrimidine analog, and methods for treating canonical Wnt-β-catenin cellular messaging system-related disorders comprising administering to a subject in need thereof an effective amount of a naphthylpyrimidine, naphthylpyrazine and naphthylpyridazine analog.

  本发明涉及萘基嘧啶类似物、制备萘基嘧啶类似物的方法、包含萘基嘧啶类似物的组合物以及治疗与经典Wnt-β-catenin细胞信息传递系统相关的疾病的方法，包括向需要治疗的受试者投予有效量的萘基嘧啶、萘基吡嗪和萘基吡啶类似物。
• (1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine: A Wingless β-Catenin Agonist That Increases Bone Formation Rate
  作者：Jeffrey C. Pelletier、Joseph T. Lundquist、Adam M. Gilbert、Nipa Alon、Frederick J. Bex、Bheem M. Bhat、Mattew G. Bursavich、Valerie E. Coleburn、Luciana A. Felix、Daniel M. Green、Paula Green、Diane B. Hauze、Yogendra P. Kharode、Ho-Sun Lam、Susan R. Lockhead、Ronald L. Magolda、Jeanne J. Matteo、John F. Mehlmann、Colleen Milligan、Richard J. Murrills、Jennifer Pirrello、Sally Selim、Michael C. Sharp、Ray J. Unwalla、Matthew D. Vera、Jay E. Wrobel、Paul Yaworsky、Peter V. N. Bodine

  DOI：10.1021/jm9014197

  日期：2009.11.26

  A high-throughput screening campaign to discover small molecule leads for the treatment of bone disorders concluded with the discovery of a compound with a 2-aminopyrimidine template that targeted the Wnt beta-catenin cellular messaging system. Hit-to-lead in vitro optimization for target activity and molecular properties led to the discovery of (1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine (5, WAY-262611). Compound 5 has excellent pharmacokinetic properties and showed a dose dependent increase in the trabecular bone formation rate in ovariectomized rats following oral administration.
• [EN] NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM<br/>[FR] ANALOGUES DE NAPHTYLPYRIMIDINE, NAPHTYLPYRAZINE ET NAPHTYLPYRIDAZINE ET LEUR UTILISATION COMME AGONISTES DU SYSTÈME DE COMMUNICATION CELLULAIRE WNT-BÊTA-CATÉNINE
  申请人：WYETH CORP

  公开号：WO2009026319A1

  公开（公告）日：2009-02-26

  The present invention relates to naphthylpyrimidine analogs, methods of making naphthylpyrimidine analogs, compositions comprising a naphthylpyrimidine analog, and methods for treating canonical Wnt-[beta-symbol]-catenin cellular messaging system-related disorders comprising administering to a subject in need thereof an effective amount of a naphthylpyrimidine, naphthylpyrazine and naphthylpyridazine analog.
• [EN] NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM<br/>[FR] ANALOGUES DE LA NAPHTHYLPYRIMIDINE, DE LA NAPHTHYLPYRAZINE ET DE LA NAPHTHYLPYRIDAZINE ET LEUR UTILISATION EN TANT QU'AGONISTES DU SYSTÈME DE MESSAGERIE CELLULAIRE WNT-BÊTA-CATÉNINE
  申请人：WYETH CORP

  公开号：WO2009026326A1

  公开（公告）日：2009-02-26

  The present invention relates to naphthylpyrimidine analogs, methods of making naphthylpyrimidine analogs, compositions comprising a naphthylpyrimidine analog, and methods for treating canonical Wnt-[beta-symbol]-catenin cellular messaging system-related disorders comprising administering to a subject in need thereof an effective amount of a naphthylpyrimidine, naphthylpyrazine and naphthylpyridazine analog.