n-(4-Acetamidophenyl)-guanidine nitrate | 677752-71-5

• 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: n-(4-Acetamidophenyl)-guanidine nitrate
• 英文别名: N-[4-(diaminomethylideneamino)phenyl]acetamide;nitric acid
• CAS: 677752-71-5
• 化学式: C₉H₁₂N₄O*HNO₃
• 分子量: 255.233
• InChiKey: ZTBUWMNPIWHJPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  160
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  n-(4-Acetamidophenyl)-guanidine nitrate 在 sodium hydroxide 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-phenyl)-acetamide
  参考文献：
  名称：

  A novel series of potent and selective IKK2 inhibitors

  摘要：

  A novel series of ammopyrimidine IKK2 inhibitors have been developed which show excellent in vitro inhibition of this enzyme and good selectivity over the IKK1 isoform. The relative potency and selectivity of these compounds has been rationalized using QSAR and structure-based modelling. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.047
• 作为产物：
  描述：

  氰胺 、 4′-氨基乙酰苯胺 在 硝酸 作用下， 生成 n-(4-Acetamidophenyl)-guanidine nitrate
  参考文献：
  名称：

  A novel series of potent and selective IKK2 inhibitors

  摘要：

  A novel series of ammopyrimidine IKK2 inhibitors have been developed which show excellent in vitro inhibition of this enzyme and good selectivity over the IKK1 isoform. The relative potency and selectivity of these compounds has been rationalized using QSAR and structure-based modelling. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.047

文献信息

• [EN] PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSES DE PYRIMIDINE
  申请人：CYCLACEL LTD

  公开号：WO2004043953A1

  公开（公告）日：2004-05-27

  The present invention relates to substituted pyrimidines of formula (I), their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependent kinases (CDKs) and hence their use in the treatment of proliferative disorders and/or viral disorders.

  本发明涉及式(I)的取代嘧啶化合物，它们的制备，含有它们的药物组合物，以及它们作为细胞周期依赖性激酶（CDKs）抑制剂的用途，因此可用于治疗增殖性疾病和/或病毒性疾病。
• Pyrimidine compounds
  申请人：Wang Shudong

  公开号：US20050192300A1

  公开（公告）日：2005-09-01

  The present invention relates to substituted pyrimidines of formula I, their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependent kinases (CDKs) and hence their use in the treatment of proliferative disorders and/or viral disorders.

  本发明涉及式I的取代嘧啶、其制备、含有它们的药物组合物以及它们作为细胞周期蛋白依赖性激酶（CDKs）抑制剂的应用，因此可用于治疗增殖性疾病和/或病毒性疾病。
• PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS
  申请人：Cyclacel Limited

  公开号：EP1864983A1

  公开（公告）日：2007-12-12

  The present invention relates to substituted pyrimidines of formula (I), their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependent kinases (CDKs) and hence their use in the treatment of proliferative disorders and/or viral disorders.

  本发明涉及式（I）的取代嘧啶、它们的制备、含有它们的药物组合物以及它们作为细胞周期蛋白依赖性激酶（CDK）抑制剂的用途，因此它们可用于治疗增殖性疾病和/或病毒性疾病。
• PYRIMIDINE COMPOUNDS
  申请人：Cyclacel Limited

  公开号：EP1567522A1

  公开（公告）日：2005-08-31
• US7432260B2
  申请人：——

  公开号：US7432260B2

  公开（公告）日：2008-10-07