1-[4-(4-硫代吗啉基磺酰基)苯基]乙酮 | 902137-95-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[4-(4-硫代吗啉基磺酰基)苯基]乙酮
• 英文名称: 1-[4-(Thiomorpholine-4-sulfonyl)-phenyl]-ethanone
• 英文别名: 1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanone
• CAS: 902137-95-5
• 化学式: C₁₂H₁₅NO₃S₂
• mdl: MFCD08706355
• 分子量: 285.388
• InChiKey: MHKYDSXPPIQXFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[4-(4-硫代吗啉基磺酰基)苯基]乙酮 、 N,N-二甲基甲酰胺二甲基缩醛 生成
  参考文献：
  名称：

  Synthesis and structure–activity relationship of aminopyrimidine IKK2 inhibitors

  摘要：

  The synthesis and structure-activity relationship of a novel series of aminopyrimidines are exemplified. Results of key compounds from within this series in the E-selectin reporter cell assay are also reported. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.062
• 作为产物：
  描述：

  硫代吗啉 、 4-乙酰基苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-[4-(4-硫代吗啉基磺酰基)苯基]乙酮
  参考文献：
  名称：

  Synthesis and structure–activity relationship of aminopyrimidine IKK2 inhibitors

  摘要：

  The synthesis and structure-activity relationship of a novel series of aminopyrimidines are exemplified. Results of key compounds from within this series in the E-selectin reporter cell assay are also reported. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.062

文献信息

• Synthesis and structure–activity relationship of aminopyrimidine IKK2 inhibitors
  作者：Alistair H. Bingham、Richard J. Davenport、Richard Fosbeary、Lewis Gowers、Roland L. Knight、Christopher Lowe、David A. Owen、David M. Parry、Will R. Pitt

  DOI：10.1016/j.bmcl.2008.04.062

  日期：2008.6

  The synthesis and structure-activity relationship of a novel series of aminopyrimidines are exemplified. Results of key compounds from within this series in the E-selectin reporter cell assay are also reported. (C) 2008 Elsevier Ltd. All rights reserved.