NP603 | 949164-80-1

• 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: NP603
• 英文别名: 3-(5-((6-(3,5-dimethoxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid；3-[5-[(Z)-[6-(3,5-dimethoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
• CAS: 949164-80-1
• 化学式: C₂₆H₂₆N₂O₅
• 分子量: 446.503
• InChiKey: ZIZSHSPAAJIYOD-XKZIYDEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,5-二甲氧基苯硼酸 在 palladium on activated charcoal 、 四(三苯基膦)钯 哌啶 、 盐酸 、 氢气 、 sodium hydride 、 碳酸氢钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 9.0h， 生成 NP603
  参考文献：
  名称：

  Novel inhibitor for fibroblast growth factor receptor tyrosine kinase

  摘要：

  NP603, the 6-dimethoxy phenyl indolin-2-one, was designed as FGF receptor I inhibitor by computational study. NP603 was synthesized and found to be more active against endothelial proliferation of HUVEC after the rhFGF-2 stimulation than SU6668 with minimum effective dose of 0.4 mu M but with similar potency as SU16g. NP603 inhibited the tyrosine phosphorylation in FGF receptor and the activation of extracellular signal-regulated kinase and c-Jun-N-terminal-kinase after the rhFGF2 stimulation. The increase in activity of NP603 supports the role of Lys514 movement in ligand-receptor binding in modeling study as the movement accommodates the hydrophobic interaction at the receptor pocket leading to the enhancement of binding capacity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.058

文献信息

• Novel inhibitor for fibroblast growth factor receptor tyrosine kinase
  作者：Naparat Kammasud、Chantana Boonyarat、Satoshi Tsunoda、Hiroaki Sakurai、Ikuo Saiki、David S. Grierson、Opa Vajragupta

  DOI：10.1016/j.bmcl.2007.06.058

  日期：2007.9

  NP603, the 6-dimethoxy phenyl indolin-2-one, was designed as FGF receptor I inhibitor by computational study. NP603 was synthesized and found to be more active against endothelial proliferation of HUVEC after the rhFGF-2 stimulation than SU6668 with minimum effective dose of 0.4 mu M but with similar potency as SU16g. NP603 inhibited the tyrosine phosphorylation in FGF receptor and the activation of extracellular signal-regulated kinase and c-Jun-N-terminal-kinase after the rhFGF2 stimulation. The increase in activity of NP603 supports the role of Lys514 movement in ligand-receptor binding in modeling study as the movement accommodates the hydrophobic interaction at the receptor pocket leading to the enhancement of binding capacity. (c) 2007 Elsevier Ltd. All rights reserved.