N-[4-(4-amino-6-pyridin-3-ylfuro[2,3-d]pyrimidin-5-yl)phenyl]thiophene-2-sulfonamide | 501696-47-5

• 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-(4-amino-6-pyridin-3-ylfuro[2,3-d]pyrimidin-5-yl)phenyl]thiophene-2-sulfonamide
• CAS: 501696-47-5
• 化学式: C₂₁H₁₅N₅O₃S₂
• 分子量: 449.514
• InChiKey: RIHKCRDUTCMPGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-噻吩磺酰氯 、 5-(4-aminophenyl)-6-(pyridin-3-yl)furo[2,3-d]pyrimidin-4-amine 在 吡啶 、 4-二甲氨基吡啶 作用下， 生成 N-[4-(4-amino-6-pyridin-3-ylfuro[2,3-d]pyrimidin-5-yl)phenyl]thiophene-2-sulfonamide
  参考文献：
  名称：

  Rational design of 4-amino-5,6-diaryl-furo[2,3-d]pyrimidines as potent glycogen synthase kinase-3 inhibitors

  摘要：

  4-Amino-5,6-diaryl-furo[2,3-d] pyrimidines have been identified as inhibitors of glycogen synthase kinase-3b (GSK-3 beta). One representative derivative, 4-amino-5-(4-(benzenesulfonylamino)-phenyl)-6-(3-pyridyl)-furo[2,3-d] pyrimidine (12) exhibited potent GSK-3b inhibitory activity in low nanomolar level of IC50. The binding mode was proposed from a docking study. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.113

文献信息

• Rational design of 4-amino-5,6-diaryl-furo[2,3-d]pyrimidines as potent glycogen synthase kinase-3 inhibitors
  作者：Yasushi Miyazaki、Yutaka Maeda、Hideyuki Sato、Masato Nakano、Geoffrey W. Mellor

  DOI：10.1016/j.bmcl.2008.01.113

  日期：2008.3

  4-Amino-5,6-diaryl-furo[2,3-d] pyrimidines have been identified as inhibitors of glycogen synthase kinase-3b (GSK-3 beta). One representative derivative, 4-amino-5-(4-(benzenesulfonylamino)-phenyl)-6-(3-pyridyl)-furo[2,3-d] pyrimidine (12) exhibited potent GSK-3b inhibitory activity in low nanomolar level of IC50. The binding mode was proposed from a docking study. (C) 2008 Elsevier Ltd. All rights reserved.