tert-butyl 4'-[2-methyl-1-(pyridin-4-yl)prop-1-enyl]biphenyl-3,4-diyldicarbamate | 1233692-96-0

• 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: tert-butyl 4'-[2-methyl-1-(pyridin-4-yl)prop-1-enyl]biphenyl-3,4-diyldicarbamate
• 英文别名: tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
• CAS: 1233692-96-0
• 化学式: C₃₁H₃₇N₃O₄
• 分子量: 515.652
• InChiKey: HXSNHEDUXDNCPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  89.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,4-bis(tert-butoxycarbonylamino)phenylboronic acid 、 4-(1-(4-bromophenyl)-2-methylprop-1-enyl)pyridine 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 4.0h， 以79%的产率得到tert-butyl 4'-[2-methyl-1-(pyridin-4-yl)prop-1-enyl]biphenyl-3,4-diyldicarbamate
  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.