(S)-1-(4-(1-methyl-7-(3-methylmorpholino)-1H-pyrazolo-[4,3-d]pyrimidin-5-yl)phenyl)-3-(2-(methylsulfonyl)ethyl)urea | 1285500-18-6

• 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: (S)-1-(4-(1-methyl-7-(3-methylmorpholino)-1H-pyrazolo-[4,3-d]pyrimidin-5-yl)phenyl)-3-(2-(methylsulfonyl)ethyl)urea
• 英文别名: (5)-1-(4-(1-methyl-7-(3-methylmorpholino)-1H-pyrazolo-[4,3-d]pyrimidin-5-yl)phenyl)-3-(2-(methylsulfonyl)ethyl)urea；1-[4-[1-methyl-7-[(3S)-3-methylmorpholin-4-yl]pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]-3-(2-methylsulfonylethyl)urea
• CAS: 1285500-18-6
• 化学式: C₂₁H₂₇N₇O₄S
• 分子量: 473.556
• InChiKey: QAEORRQTUGTJCK-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (S)-1-(4-(1-methyl-7-(3-methylmorpholino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl)-3-(oxetan-3-yl)urea 、 2-(甲砜基)乙胺盐酸盐 生成 (S)-1-(4-(1-methyl-7-(3-methylmorpholino)-1H-pyrazolo-[4,3-d]pyrimidin-5-yl)phenyl)-3-(2-(methylsulfonyl)ethyl)urea
  参考文献：
  名称：

  N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE

  摘要：

  本发明涉及式I的化合物：其中R1，R2，R3，A1，A2，A3，A4，Y1和Y2以及D具有本文所述的含义。本发明还涉及包含这种化合物的药物组成物以及其治疗用途。

  公开号：

  US20110086840A1

文献信息

• N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use
  申请人：Pei Zhonghua

  公开号：US08828990B2

  公开（公告）日：2014-09-09

  The present invention relates to compounds of Formula I: wherein R1, R2, R3, A1, A2, A3, A4, Y1 and Y2 and D have the meaning described herein. The present invention also relates to pharmaceutical compositions comprising such compounds and therapeutic uses thereof.

  本发明涉及式I的化合物：其中R1，R2，R3，A1，A2，A3，A4，Y1和Y2以及D具有本文所述的含义。本发明还涉及包含这种化合物的制药组合物和其治疗用途。
• EP2499143B1
  申请人：——

  公开号：EP2499143B1

  公开（公告）日：2016-03-16
• US8828990B2
  申请人：——

  公开号：US8828990B2

  公开（公告）日：2014-09-09
• [EN] N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS DE PYRAZOLOPYRIMIDINE ET DE PURINE N-7-SUBSTITUÉS, COMPOSITIONS ET PROCÉDÉS D'UTILISATION CORRESPONDANTS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011058025A1

  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, Y1 and Y2 and D have the meaning described herein. The present invention also relates to pharmaceutical compositions comprising such compounds and therapeutic uses thereof.
• [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.