N-(5-(2-amino-4-methylquinazolin-6-yl)-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamide | 1552301-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(5-(2-amino-4-methylquinazolin-6-yl)-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamide
• 英文别名: N-[5-(2-amino-4-methylquinazolin-6-yl)-2-methoxypyridin-3-yl]-2,4-difluorobenzenesulfonamide
• CAS: 1552301-67-3
• 化学式: C₂₁H₁₇F₂N₅O₃S
• 分子量: 457.46
• InChiKey: WUPAMXPGAGXOBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-氨基-5-溴苯乙酮 在 盐酸 、 双三苯基磷二氯化钯 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.33h， 生成 N-(5-(2-amino-4-methylquinazolin-6-yl)-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamide
  参考文献：
  名称：

  Identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors

  摘要：

  Inhibition of the phosphoinositide 3-kinase (PI3K)/AKT/mammalian target of rapamycin ( mTOR) signaling pathway is one of the most intensively studied approaches to cancer therapy. Rational design led to the identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors. Design, synthesis and structure activity relationship are reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.112

文献信息

• Identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors
  作者：Songwen Lin、Fangbin Han、Peng Liu、Jing Tao、Xuechao Zhong、Xiujie Liu、Chongqin Yi、Heng Xu

  DOI：10.1016/j.bmcl.2013.12.112

  日期：2014.2

  Inhibition of the phosphoinositide 3-kinase (PI3K)/AKT/mammalian target of rapamycin ( mTOR) signaling pathway is one of the most intensively studied approaches to cancer therapy. Rational design led to the identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors. Design, synthesis and structure activity relationship are reported. (C) 2013 Elsevier Ltd. All rights reserved.