1-(pyridin-3-yl)-2-[4-(thiophen-3-yl)phenyl]ethanone | 1233692-83-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(pyridin-3-yl)-2-[4-(thiophen-3-yl)phenyl]ethanone
• 英文别名: 1-Pyridin-3-yl-2-(4-thiophen-3-ylphenyl)ethanone
• CAS: 1233692-83-5
• 化学式: C₁₇H₁₃NOS
• 分子量: 279.362
• InChiKey: YBIPILQWACNIHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(pyridin-3-yl)-2-[4-(thiophen-3-yl)phenyl]ethanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以83%的产率得到1-(pyridin-3-yl)-2-[4-(thiophen-3-yl)phenyl]ethanol
  参考文献：
  名称：

  Isopropylidene Substitution Increases Activity and Selectivity of Biphenylmethylene 4-Pyridine Type CYP17 Inhibitors

  摘要：

  GYP 17 inhibition is a promising therapy for prostate cancer (PC) because proliferation of 80% of PC depends on androgen stimulation. Introduction of isopropylidene substituents onto the linker of biphenylmethylene 4-pyridines resulted in several strong GYP 17 inhibitors, which were more potent and selective, regarding GYP 11B1, 11B2, 19 and 3A4, than the drug candidate abiraterone.

  DOI：

  10.1021/jm100400a
• 作为产物：
  描述：

  3-噻吩硼酸 、 2-(4-溴苯基)-1-(吡啶-3-基)乙酮 在 四丁基溴化铵 、 palladium diacetate 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 6.0h， 以0.85 g的产率得到1-(pyridin-3-yl)-2-[4-(thiophen-3-yl)phenyl]ethanone
  参考文献：
  名称：

  Isopropylidene Substitution Increases Activity and Selectivity of Biphenylmethylene 4-Pyridine Type CYP17 Inhibitors

  摘要：

  GYP 17 inhibition is a promising therapy for prostate cancer (PC) because proliferation of 80% of PC depends on androgen stimulation. Introduction of isopropylidene substituents onto the linker of biphenylmethylene 4-pyridines resulted in several strong GYP 17 inhibitors, which were more potent and selective, regarding GYP 11B1, 11B2, 19 and 3A4, than the drug candidate abiraterone.

  DOI：

  10.1021/jm100400a

文献信息

• Isopropylidene Substitution Increases Activity and Selectivity of Biphenylmethylene 4-Pyridine Type CYP17 Inhibitors
  作者：Qingzhong Hu、Lina Yin、Carsten Jagusch、Ulrike E. Hille、Rolf W. Hartmann

  DOI：10.1021/jm100400a

  日期：2010.7.8

  GYP 17 inhibition is a promising therapy for prostate cancer (PC) because proliferation of 80% of PC depends on androgen stimulation. Introduction of isopropylidene substituents onto the linker of biphenylmethylene 4-pyridines resulted in several strong GYP 17 inhibitors, which were more potent and selective, regarding GYP 11B1, 11B2, 19 and 3A4, than the drug candidate abiraterone.