5-Bromo-2-fluoro-4-methylsulfonyltoluene | 942474-79-5

• 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: 5-Bromo-2-fluoro-4-methylsulfonyltoluene
• 英文别名: 1-bromo-4-fluoro-5-methyl-2-methylsulfonylbenzene
• CAS: 942474-79-5
• 化学式: C₈H₈BrFO₂S
• 分子量: 267.119
• InChiKey: UDXXNGGIAPGJEM-UHFFFAOYSA-N

物化性质

• 熔点：
  66-68°C
• 沸点：
  366.1±42.0 °C(Predicted)
• 密度：
  1.591±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  5-Bromo-2-fluoro-4-methylsulfonyltoluene 在 sodium tetrahydroborate 、 异丙基溴化镁 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-(5-((4,5-difluoro-2-(methylsulfonyl)benzyl)amino)-1-methyl-1H-indazol-3-yl)-N-((1r,4r)-4-hydroxycyclohexyl)benzamide
  参考文献：
  名称：

  A series of novel indazole derivatives of Sirt 1 activator as osteogenic regulators

  摘要：

  A series of indazole derivatives were identified as Sirt 1 activators though high-throughput screening. Optimization of each substituent on the indazole ring led to the identification of compound 13. Compound 13 appeared to give the best Sirt 1 activity of the compounds tested and also showed osteogenesis activity in a cell assay. Sirt 1 activators are therefore potential candidates for the treatment of (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.09.049

文献信息

• A series of novel indazole derivatives of Sirt 1 activator as osteogenic regulators
  作者：Masakazu Atobe、Natsumi Yamakawa、Yasuhiro Wada、Tokuhito Goto、Masashi Kawanishi、Takeshi Ito、Makoto Saito、Masahiro Takeda、Takanori Tabata、Hirokazu Arai

  DOI：10.1016/j.bmcl.2017.09.049

  日期：2017.11

  A series of indazole derivatives were identified as Sirt 1 activators though high-throughput screening. Optimization of each substituent on the indazole ring led to the identification of compound 13. Compound 13 appeared to give the best Sirt 1 activity of the compounds tested and also showed osteogenesis activity in a cell assay. Sirt 1 activators are therefore potential candidates for the treatment of (C) 2017 Elsevier Ltd. All rights reserved.