1-(3-Chloro-4-methylsulfonylphenyl)propan-2-one | 1396341-65-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3-Chloro-4-methylsulfonylphenyl)propan-2-one
• 英文别名: 1-(3-chloro-4-methylsulfonylphenyl)propan-2-one
• CAS: 1396341-65-3
• 化学式: C₁₀H₁₁ClO₃S
• 分子量: 246.715
• InChiKey: JDSVYKGTUCISGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Chloro-4-methylsulfonylphenyl)propan-2-one 在 溴 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-Bromo-1-(3-chloro-4-methylsulfonylphenyl)propan-2-one
  参考文献：
  名称：

  Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway

  摘要：

  Using a parallel synthesis approach to target a non-conserved region of the PI3K catalytic domain a pan-PI3K inhibitor 1 was elaborated to provide alpha, delta and gamma isoform selective Class I PI3K inhibitors 21, 24, 26 and 27. The compounds had good cellular activity and were selective against protein kinases and other members of the PI3K superfamily including mTOR and DNA-PK. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.042
• 作为产物：
  描述：

  3-氯-4-氟苯甲醛 在 ammonium acetate 、 铁粉 、 溶剂黄146 作用下， 以 二甲基亚砜 为溶剂， 生成 1-(3-Chloro-4-methylsulfonylphenyl)propan-2-one
  参考文献：
  名称：

  Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway

  摘要：

  Using a parallel synthesis approach to target a non-conserved region of the PI3K catalytic domain a pan-PI3K inhibitor 1 was elaborated to provide alpha, delta and gamma isoform selective Class I PI3K inhibitors 21, 24, 26 and 27. The compounds had good cellular activity and were selective against protein kinases and other members of the PI3K superfamily including mTOR and DNA-PK. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.042

文献信息

• Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway
  作者：Ian Bruce、Mohammed Akhlaq、Graham C. Bloomfield、Emma Budd、Brian Cox、Bernard Cuenoud、Peter Finan、Peter Gedeck、Julia Hatto、Judy F. Hayler、Denise Head、Thomas Keller、Louise Kirman、Catherine Leblanc、Darren Le Grand、Clive McCarthy、Desmond O’Connor、Charles Owen、Mrinalini S. Oza、Gaynor Pilgrim、Nicola E. Press、Lilya Sviridenko、Lewis Whitehead

  DOI：10.1016/j.bmcl.2012.07.042

  日期：2012.9

  Using a parallel synthesis approach to target a non-conserved region of the PI3K catalytic domain a pan-PI3K inhibitor 1 was elaborated to provide alpha, delta and gamma isoform selective Class I PI3K inhibitors 21, 24, 26 and 27. The compounds had good cellular activity and were selective against protein kinases and other members of the PI3K superfamily including mTOR and DNA-PK. (C) 2012 Elsevier Ltd. All rights reserved.