3-氯-2-甲基-N-[5,6,7,8-四氢-2-[(2-苯基乙基)氨基]-6-(苯基甲基)吡啶并[4,3-D]嘧啶-4-基]苯磺酰胺 | 1208123-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 3-氯-2-甲基-N-[5,6,7,8-四氢-2-[(2-苯基乙基)氨基]-6-(苯基甲基)吡啶并[4,3-D]嘧啶-4-基]苯磺酰胺
• 英文名称: N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-chloro-2-methylbenzenesulfonamide
• CAS: 1208123-85-6
• 化学式: C₂₉H₃₀ClN₅O₂S
• 分子量: 548.108
• InChiKey: LGUUETDTMQTHML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  C₂₁H₂₀Cl₂N₄O₂S 、 2-苯乙胺 在 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 3-氯-2-甲基-N-[5,6,7,8-四氢-2-[(2-苯基乙基)氨基]-6-(苯基甲基)吡啶并[4,3-D]嘧啶-4-基]苯磺酰胺
  参考文献：
  名称：

  5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidines as novel class of potent and highly selective CaMKII inhibitors

  摘要：

  A novel series of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidines containing substituted phenyl sulfonamide are synthesized and evaluated for their inhibitory activity against CaMKII. Substituents on the phenyl group had significant impact on CaMKII inhibition, in particular, the inhibitory activity of 8p was 25-fold higher than that of KN-93, a known CaMKII inhibitor. Michaelis-Menten analysis of a representative compound suggested that the synthesized pyrimidines are calmodulin non-competitive inhibitors. Finally, 8p exhibited more than 100-fold higher selectivity for CaMKII over five types of off-target kinases. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.005

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.
• 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidines as novel class of potent and highly selective CaMKII inhibitors
  作者：Shigehiro Asano、Masafumi Komiya、Nobuyuki Koike、Erina Koga、Shogo Nakatani、Yoshiaki Isobe

  DOI：10.1016/j.bmcl.2010.09.005

  日期：2010.11

  A novel series of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidines containing substituted phenyl sulfonamide are synthesized and evaluated for their inhibitory activity against CaMKII. Substituents on the phenyl group had significant impact on CaMKII inhibition, in particular, the inhibitory activity of 8p was 25-fold higher than that of KN-93, a known CaMKII inhibitor. Michaelis-Menten analysis of a representative compound suggested that the synthesized pyrimidines are calmodulin non-competitive inhibitors. Finally, 8p exhibited more than 100-fold higher selectivity for CaMKII over five types of off-target kinases. (C) 2010 Elsevier Ltd. All rights reserved.