N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine | 1026029-14-0

• 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: N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine
• 英文别名: N-(3-chlorophenyl)-4-(3-piperazin-1-ylphenyl)pyrimidin-2-amine
• CAS: 1026029-14-0
• 化学式: C₂₀H₂₀ClN₅
• 分子量: 365.865
• InChiKey: UGXVRWRXHWTSCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-Chloro-4-[3-(1-piperazinyl)phenyl]pyrimidine 、 3-氯苯胺 在 palladium diacetate caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine
  参考文献：
  名称：

  Pyrimidine-based inhibitors of CaMKIIδ

  摘要：

  Non-ATP competitive pyrimidine-based inhibitors of CaMKIId were identified. Computational studies were enlisted to predict the probable mode of binding. The results of the computational studies led to the design of ATP competitive inhibitors with optimized hinge interactions. Inhibitors of this class possessed improved enzyme and cellular activity compared to early leads. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.056

文献信息

• COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING CATECHOLAMINERGIC POLYMORPHIC VENTRICULAR TACHYCARDIA
  申请人：CHILDREN'S MEDICAL CENTER CORPORATION

  公开号：US20210147497A1

  公开（公告）日：2021-05-20

  The present invention features AIP peptide and polynucleotide compositions, methods of using such compositions for the treatment of CPVT, as well as a human induced pluripotent stem cell derived cardiomyocyte model, useful in characterizing agents that modulate myocardial conduction and contraction.