1-[4-(3-{1-[(6-bromopyridin-3-yl)methyl]piperidin-4-yl}-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea | 1173206-24-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[4-(3-{1-[(6-bromopyridin-3-yl)methyl]piperidin-4-yl}-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea
• 英文别名: 1-(4-(3-(1-((6-bromopyridin-3-yl)methyl)piperidin-4-yl)-7-morpholino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl)-3-(2-(dimethylamino)ethyl)urea；1-[4-[3-[1-[(6-bromopyridin-3-yl)methyl]piperidin-4-yl]-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
• CAS: 1173206-24-0
• 化学式: C₃₀H₃₈BrN₁₁O₂
• 分子量: 664.608
• InChiKey: QIQRYEDRIWUNEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-[2-(dimethylamino)ethyl]-3-[4-(7-morpholin-4-yl-3-piperidin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]urea 、 2-溴-5-醛基吡啶 、 三乙酰氧基硼氢化钠 、 溶剂黄146 以 四氢呋喃 为溶剂， 以to give the product (15 mg, 28% yield)的产率得到1-[4-(3-{1-[(6-bromopyridin-3-yl)methyl]piperidin-4-yl}-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea
  参考文献：
  名称：

  3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES

  摘要：

  本发明涉及式1的3H-[1,2,3]三唑并[4,5-d]嘧啶化合物或其药学上可接受的盐，其中构成变量如本文所定义，以及包含该化合物的组合物和制备和使用该化合物的方法。

  公开号：

  US20090181963A1

文献信息

• 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES
  申请人：Wyeth LLC

  公开号：EP2252296A1

  公开（公告）日：2010-11-24
• [EN] 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES<br/>[FR] COMPOSÉS DE 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, UTILISATIONS DE CEUX-CI EN TANT QU'INHIBITEURS DE LA MTOR KINASE ET DE LA PI3 KINASE, ET SYNTHÈSES DE CEUX-CI
  申请人：WYETH CORP

  公开号：WO2009091788A1

  公开（公告）日：2009-07-23

  The invention relates to 3H-[1,2,3]triazolo[4,5-d]pyrimidine compounds of the Formula 1 or a pharmaceutically acceptable salt thereof, wherein the constituent variables are as defined herein, compositions comprising the compounds, and methods for making and using the compounds.