1-(3'-methoxybiphenyl-4-yl)-1-(pyridin-4-yl)propan-1-ol | 1233693-10-1

• 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'-methoxybiphenyl-4-yl)-1-(pyridin-4-yl)propan-1-ol
• 英文别名: 1-[4-(3-Methoxyphenyl)phenyl]-1-pyridin-4-ylpropan-1-ol
• CAS: 1233693-10-1
• 化学式: C₂₁H₂₁NO₂
• 分子量: 319.403
• InChiKey: XQFWJEPQJUKZJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3'-methoxybiphenyl-4-yl)-1-(pyridin-4-yl)propan-1-ol 在 甲酸 、 palladium diacetate 作用下， 反应 16.0h， 生成 (E,Z)-4-[1-(3'-methoxybiphenyl-4-yl)prop-1-enyl]pyridine
  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'-methoxy-[1,1'-biphenyl]-4-yl)(pyridin-4-yl)methanone 、 乙基氯化镁 以 四氢呋喃 为溶剂， 反应 8.0h， 以73%的产率得到1-(3'-methoxybiphenyl-4-yl)-1-(pyridin-4-yl)propan-1-ol
  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.