(S)-3-(4-(6-amino-5-(pyrimidin-2-yl)pyridin-3-yl)phenyl)-5,5-dimethyl-4-phenyloxazolidin-2-one | 1456505-27-3

• 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: (S)-3-(4-(6-amino-5-(pyrimidin-2-yl)pyridin-3-yl)phenyl)-5,5-dimethyl-4-phenyloxazolidin-2-one
• 英文别名: (4s)-3-{4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]phenyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One；(4S)-3-[4-(6-amino-5-pyrimidin-2-ylpyridin-3-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• CAS: 1456505-27-3
• 化学式: C₂₆H₂₃N₅O₂
• 分子量: 437.501
• InChiKey: BGDLETKJFQIBLX-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-(+)-5,5-二甲基-4-苯基-2-恶唑烷酮 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 、 copper(l) iodide 、 氨 、 sodium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 、 二甲基亚砜 为溶剂， 反应 12.0h， 生成 (S)-3-(4-(6-amino-5-(pyrimidin-2-yl)pyridin-3-yl)phenyl)-5,5-dimethyl-4-phenyloxazolidin-2-one
  参考文献：
  名称：

  [EN] OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF
  [FR] COMPOSÉS D'OXAZOLIDINONE ET LEURS DÉRIVÉS

  摘要：

  式(I)和式(II)的化合物是坦克酶的有用抑制剂。式(I)和式(II)的化合物具有以下结构：其中变量的定义在此提供。

  公开号：

  WO2013134079A1

文献信息

• [EN] MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS<br/>[FR] DÉRIVÉS DE MANNOSE POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：VERTEX PHARMA

  公开号：WO2013134415A1

  公开（公告）日：2013-09-12

  The present invention relates to compounds useful for the treatment or prevention of bacteria infections. These compounds have formula I: The invention also provides pharmaceutically acceptable compositions containing the compounds and methods of using the compositions in the treatment of bacteria infections. Finally, the invention provides processes for making compounds of the invention.

  本发明涉及用于治疗或预防细菌感染的化合物。这些化合物的公式为I：。发明还提供了包含这些化合物的药用可接受组合物，以及使用组合物治疗细菌感染的方法。最后，发明提供了制造本发明化合物的方法。
• OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF
  申请人：AMGEN INC.

  公开号：US20150045368A1

  公开（公告）日：2015-02-12

  Compounds of Formula (I) and Formula (II) are useful inhibitors of tankyrase. Compounds of Formula (I) and Formula (II) have the following structure: where the definitions of the variables are provided herein.

  式(I)和式(II)的化合物是坦克酰酶的有用抑制剂。式(I)和式(II)的化合物具有以下结构：其中变量的定义在此提供。
• Oxazolidinone compounds and derivatives thereof
  申请人：AMGEN INC.

  公开号：US09340549B2

  公开（公告）日：2016-05-17

  Compounds of Formula (I) and Formula (II) are useful inhibitors of tankyrase. Compounds of Formula (I) and Formula (II) have the following structure: where the definitions of the variables are provided herein.

  式(I)和式(II)的化合物是tankyrase的有用抑制剂。式(I)和式(II)的化合物具有以下结构：其中变量的定义在此提供。
• Structure-Based Design of 2-Aminopyridine Oxazolidinones as Potent and Selective Tankyrase Inhibitors
  作者：Hongbing Huang、Angel Guzman-Perez、Lisa Acquaviva、Virginia Berry、Howard Bregman、Jennifer Dovey、Hakan Gunaydin、Xin Huang、Liyue Huang、Doug Saffran、Randy Serafino、Steve Schneider、Cindy Wilson、Erin F. DiMauro

  DOI：10.1021/ml4003315

  日期：2013.12.12

  Aberrant activation of the Wnt pathway has been implicated in the development and formation of many cancers. TNKS inhibition has been shown to antagonize Wnt signaling via Axin stabilization in APC mutant colon cancer cell lines. We employed structure-based design to identify a series of 2-aminopyridine oxazolidinones as potent and selective TNKS inhibitors. These compounds exhibited good enzyme and cell potency as well as selectivity over other PARP isoforms. Co-crystal structures of these 2-aminopyridine oxazolidinones complexed to TNKS reveal an induced-pocket binding mode that does not involve interactions with the nicotinamide binding pocket Oral dosing of lead compounds 3 and 4 resulted in significant effects on several Wnt-pathway biomarkers in a three day DLD-1 mouse tumor PD model.
• MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2822956A1

  公开（公告）日：2015-01-14