(S)-1-ethyl-3-(4-(9-ethyl-6-(3-methylmorpholino)-8-(pyrimidin-5-yl)-9H-purin-2-yl)phenyl)urea | 1286275-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (S)-1-ethyl-3-(4-(9-ethyl-6-(3-methylmorpholino)-8-(pyrimidin-5-yl)-9H-purin-2-yl)phenyl)urea
• 英文别名: 1-ethyl-3-[4-[9-ethyl-6-[(3S)-3-methylmorpholin-4-yl]-8-pyrimidin-5-ylpurin-2-yl]phenyl]urea
• CAS: 1286275-40-8
• 化学式: C₂₅H₂₉N₉O₂
• 分子量: 487.564
• InChiKey: YLHIVBBRNSLPGJ-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Pei Zhonghua

  公开号：US20110086841A1

  公开（公告）日：2011-04-14

  The present invention relates to compounds of Formula I: wherein R 1 , R 2 , R 3 , A 1 , A 2 , A 3 , A 4 and D have the meaning described herein. The present invention also relates to pharmaceutical compositions comprising such compounds and therapeutic uses thereof.

  本发明涉及以下化合物的公式I：其中R1、R2、R3、A1、A2、A3、A4和D具有本说明中描述的含义。本发明还涉及包含这些化合物的药物组合物以及其治疗用途。
• N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2498780B1

  公开（公告）日：2016-09-07
• US8288381B2
  申请人：——

  公开号：US8288381B2

  公开（公告）日：2012-10-16
• [EN] N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS DE PURINE N-9-SUBSTITUÉS, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011058027A2

  公开（公告）日：2011-05-19

  The present invention relates to compounds of Formula (I), wherein R1, R2, R3, A1, A2, A3, A4 and D have the meaning described herein. The present invention also relates to pharmaceutical compositions comprising such compounds and therapeutic uses against cancer via inhibition of mTOR and PI3K.
• [EN] AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS<br/>[FR] POLYTHÉRAPIE COMBINANT UN INDUCTEUR ET UN INHIBITEUR D'AUTOPHAGIE POUR LE TRAITEMENT DE NÉOPLASMES
  申请人：GENENTECH INC

  公开号：WO2012087336A1

  公开（公告）日：2012-06-28

  The subject matter disclosed herein relates to agents and methods of treating neoplasms with an agent that is a kinase inhibitor and is also an inducer of autophagy in combination with an agent that is an inhibitor of autophagy.