N-[(2E)-3-{4-[5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl]-5-methoxy-6-(piperidin-3-ylamino)pyrimidin-2-yl}prop-2-en-1-yl]-1-(3,4-difluorobenzyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide | 1204399-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: N-[(2E)-3-{4-[5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl]-5-methoxy-6-(piperidin-3-ylamino)pyrimidin-2-yl}prop-2-en-1-yl]-1-(3,4-difluorobenzyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
• 英文别名: N-[(E)-3-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-5-methoxy-6-(piperidin-3-ylamino)pyrimidin-2-yl]prop-2-enyl]-1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxamide
• CAS: 1204399-22-3
• 化学式: C₃₃H₃₄F₂N₁₂O₃
• 分子量: 684.708
• InChiKey: JLFYXFWKTSXIJR-UXBLZVDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  50
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  190
• 氢给体数：
  5
• 氢受体数：
  14

文献信息

• HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS
  申请人：Engelhardt Harald

  公开号：US20110313156A1

  公开（公告）日：2011-12-22

  The present invention encompasses compounds of general formula (1) wherein the units W, A, L, Q a and Q H are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

  本发明涵盖了一般式（1）中的化合物，其中W，A，L，Qa和QH的定义如权利要求书中所述，适用于治疗由过度或异常细胞增殖所特征化的疾病，并且它们作为具有上述特性的药物的用途。
• HETOEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2323986A2

  公开（公告）日：2011-05-25
• JP2011528025A
  申请人：——

  公开号：JP2011528025A

  公开（公告）日：2011-11-10
• [EN] NEW CHEMICAL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS CHIMIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010007114A2

  公开（公告）日：2010-01-21

  The present invention encompasses compounds of general formula (1) wherein the units W, A, L, Qa and QH are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.