N-(2-chloro-5-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl)methanesulfonamide

• 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: N-(2-chloro-5-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl)methanesulfonamide
• 英文别名: N-[2-chloro-5-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]methanesulfonamide
• 化学式: C₁₁H₁₃ClN₂O₃S
• 分子量: 288.755
• InChiKey: PGVPPOVJVOILFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(5-bromo-2-chloropyridin-3-yl)methanesulfonamide 、 3,6-二氢-2H-吡喃-4-三氟甲烷磺酸盐 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.0h， 以45%的产率得到N-(2-chloro-5-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl)methanesulfonamide
  参考文献：
  名称：

  Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase δ through a Deconstruction and Regrowth Approach

  摘要：

  A deconstruction of previously reported phosphoinositide 3-kinase delta (PI3K delta) inhibitors and subsequent regrowth led to the identification of a privileged fragment for PI3K delta, which was exploited to deliver a potent, efficient, and selective lead series with a novel binding mode observed in the PI3K delta crystal structure.

  DOI：

  10.1021/acs.jmedchem.8b01556

文献信息

• Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase δ through a Deconstruction and Regrowth Approach
  作者：Nick Barton、Máire Convery、Anthony W. J. Cooper、Kenneth Down、J. Nicole Hamblin、Graham Inglis、Simon Peace、James Rowedder、Paul Rowland、Jonathan A. Taylor、Natalie Wellaway

  DOI：10.1021/acs.jmedchem.8b01556

  日期：2018.12.27

  A deconstruction of previously reported phosphoinositide 3-kinase delta (PI3K delta) inhibitors and subsequent regrowth led to the identification of a privileged fragment for PI3K delta, which was exploited to deliver a potent, efficient, and selective lead series with a novel binding mode observed in the PI3K delta crystal structure.