2-[4-[[[6-Amino-5-(4-pyridin-2-yloxyphenyl)pyrimidin-4-yl]amino]methyl]piperidine-1-carbonyl]prop-2-enenitrile

• 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: 2-[4-[[[6-Amino-5-(4-pyridin-2-yloxyphenyl)pyrimidin-4-yl]amino]methyl]piperidine-1-carbonyl]prop-2-enenitrile
• 英文别名: 2-[4-[[[6-amino-5-(4-pyridin-2-yloxyphenyl)pyrimidin-4-yl]amino]methyl]piperidine-1-carbonyl]prop-2-enenitrile
• 化学式: C₂₅H₂₅N₇O₂
• 分子量: 455.5
• InChiKey: YXSPSOVPSZVCFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE FABRICATION DE COMPOSÉS PYRIMIDINE ET PYRIDINE AYANT UNE ACTIVITÉ INHIBITRICE DE BTK
  申请人：MERCK PATENT GMBH

  公开号：WO2014093230A2

  公开（公告）日：2014-06-19

  The present invention provides novel pyrimidine and pyridine compounds which are attached to a warhead, and the manufacture and use for the treatment of hyperproliferative diseases including, but not limited to, cancer, lupus, allergic disorders, Sjogren's disease and rheumatoid arthritis. The invention also describes kinase inhibitors including, but not limited to, inhibitors of Bruton's tyrosine kinase.