| 364333-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• CAS: 364333-50-6
• 化学式: C₃₅H₃₄N₂O₂
• 分子量: 514.667
• InChiKey: BHIJOVMVHPWNMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.42
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  34.59
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 溶剂黄146 作用下， 反应 18.0h， 生成 2-Methyl-4-[6-(methyl-naphthalen-1-ylmethyl-amino)-4-phenyl-pyridin-2-yl]-phenol
  参考文献：
  名称：

  2-Amino-4,6-diarylpyridines as novel ligands for the estrogen receptor

  摘要：

  We have prepared a novel series of 2-amino-4,6-diarylpyridines that function as ligands of estrogen receptor alpha (ER alpha) and estrogen receptor beta (ER beta). These compounds bind to both ER alpha and ER beta with a modest selectivity for the alpha subtype. The most potent of these analogues, compound 19, has a K-i = 20nM at ER alpha. These molecules represent a novel template for designing potentially useful ligands for the estrogen receptor. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00321-3
• 作为产物：
  描述：

  1-[3-Methyl-4-(oxan-2-yloxy)phenyl]ethanone 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  2-Amino-4,6-diarylpyridines as novel ligands for the estrogen receptor

  摘要：

  We have prepared a novel series of 2-amino-4,6-diarylpyridines that function as ligands of estrogen receptor alpha (ER alpha) and estrogen receptor beta (ER beta). These compounds bind to both ER alpha and ER beta with a modest selectivity for the alpha subtype. The most potent of these analogues, compound 19, has a K-i = 20nM at ER alpha. These molecules represent a novel template for designing potentially useful ligands for the estrogen receptor. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00321-3