1-(2,6-difluorophenyl)-5-phenyl-7-methylsulfonyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | 357934-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(2,6-difluorophenyl)-5-phenyl-7-methylsulfonyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
• 英文别名: 8-(2,6-Difluorophenyl)-2-methylsulfonyl-4-phenyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
• CAS: 357934-28-2
• 化学式: C₁₉H₁₄F₂N₄O₃S
• 分子量: 416.408
• InChiKey: AGXHAHFEYUOHFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  C₁₃H₉ClF₂N₄O₃S 、 苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.25h， 以78%的产率得到1-(2,6-difluorophenyl)-7-hydroxy-5-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
  参考文献：
  名称：

  Design and development of arrayable syntheses to accelerate SAR studies of pyridopyrimidinone and pyrimidopyrimidinone

  摘要：

  Chemoselectivity of chlorine versus methylthio (-SCH(3)), methylsulfinyl (-SOCH(3)), or methylsulfonyl [-S(O)(2)CH(3)] in either functionalization or substitution of pyridopyrimidinone and pyrimidopyrimidinone was studied. Utilization to prepare final targets for accelerated SAR studies via two-dimensional array syntheses has been demonstrated in both systems. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.11.014

文献信息

• 1,5- disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases
  申请人：——

  公开号：US20030100756A1

  公开（公告）日：2003-05-29

  Novel substituted pyrimido[4,5-d]pyrimidin-2-one compounds and compositions for use in therapy as CSBP/p38 kinase inhibitors.

  小说代替嘧啶[4,5-d]嘧啶-2-酮化合物和组合物，用于治疗作为CSBP/p38激酶抑制剂。
• 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES
  申请人：Adams L. Jerry

  公开号：US20070238743A1

  公开（公告）日：2007-10-11

  Novel substituted pyrimido[4,5-d]pyrimidin-2-one compounds and compositions for use in therapy as CSBP/p38 kinase inhibitors.

  小说替代嘧啶并[4,5-d]嘧啶-2-酮化合物和组合物，用于治疗CSBP/p38激酶抑制剂。
• Novel compounds
  申请人：Adams Jerry L.

  公开号：US20090048442A1

  公开（公告）日：2009-02-19

  Novel substituted pyrimido[4,5-d]pyrimidin-2-one compounds and compositions for use in therapy as CSBP/p38 kinase inhibitors.

  小说替代嘧啶并[4,5-d]嘧啶-2-酮化合物和组合物，作为CSBP/p38激酶抑制剂用于治疗。
• EP1265900A4
  申请人：——

  公开号：EP1265900A4

  公开（公告）日：2004-11-10
• 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO 4,5-D|PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1265900B1

  公开（公告）日：2007-05-16