[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol | 1424432-38-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
• CAS: 1424432-38-1
• 化学式: C₂₅H₃₁N₅O₃S
• 分子量: 481.619
• InChiKey: XCYSLHIKSGGUIV-CALCHBBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-氨基-6-氯烟酸 在 四(三苯基膦)钯 、 氯化亚砜 、 氨 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基乙酰胺 、 甲苯 为溶剂， 生成 [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
  参考文献：
  名称：

  Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: The discovery of AZD8055 and AZD2014

  摘要：

  The optimization of a potent and highly selective series of dual mTORC1 and mTORC2 inhibitors is described. An initial focus on improving cellular potency whilst maintaining or improving other key parameters, such as aqueous solubility and margins over hERG IC50, led to the discovery of the clinical candidate AZD8055 (14). Further optimization, particularly aimed at reducing the rate of metabolism in human hepatocyte incubations, resulted in the discovery of the clinical candidate AZD2014 (21). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.019

文献信息

• Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: The discovery of AZD8055 and AZD2014
  作者：Kurt G. Pike、Karine Malagu、Marc G. Hummersone、Keith A. Menear、Heather M.E. Duggan、Sylvie Gomez、Niall M.B. Martin、Linette Ruston、Sarah L. Pass、Martin Pass

  DOI：10.1016/j.bmcl.2013.01.019

  日期：2013.3

  The optimization of a potent and highly selective series of dual mTORC1 and mTORC2 inhibitors is described. An initial focus on improving cellular potency whilst maintaining or improving other key parameters, such as aqueous solubility and margins over hERG IC50, led to the discovery of the clinical candidate AZD8055 (14). Further optimization, particularly aimed at reducing the rate of metabolism in human hepatocyte incubations, resulted in the discovery of the clinical candidate AZD2014 (21). (C) 2013 Elsevier Ltd. All rights reserved.