2,4-trans-4-imidazolyl-7-hydroxyflavan-4-ol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2,4-trans-4-imidazolyl-7-hydroxyflavan-4-ol
• 英文别名: (2R,4S)-4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
• 化学式: C₁₈H₁₆N₂O₂
• 分子量: 292.337
• InChiKey: ZVMPYRSCCMHXRC-DLBZAZTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-羟基黄烷酮 在 NaBH₃ 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2,4-trans-4-imidazolyl-7-hydroxyflavan-4-ol
  参考文献：
  名称：

  Design, synthesis and evaluation of 4-imidazolylflavans as new leads for aromatase inhibition

  摘要：

  Two 4-imidazolylflavans were synthesized and their relative stereochemistry was established by H-1 and C-13 NMR data. These compounds were tested for their activity to inhibit aromatase. It was observed that the introduction of an imidazolyl group at carbon 4 on flavan nucleus led to potent molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00565-6

文献信息

• Design, synthesis and evaluation of 4-imidazolylflavans as new leads for aromatase inhibition
  作者：Christelle Pouget、Catherine Fagnere、Jean-Philippe Basly、Gérard Habrioux、Albert José Chulia

  DOI：10.1016/s0960-894x(02)00565-6

  日期：2002.10

  Two 4-imidazolylflavans were synthesized and their relative stereochemistry was established by H-1 and C-13 NMR data. These compounds were tested for their activity to inhibit aromatase. It was observed that the introduction of an imidazolyl group at carbon 4 on flavan nucleus led to potent molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.