7-((1-(4-tert-butylbenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4H-chromen-4-one | 1382038-45-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-((1-(4-tert-butylbenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4H-chromen-4-one
• 英文别名: 7-[[1-[(4-Tert-butylphenyl)methyl]triazol-4-yl]methoxy]chromen-4-one
• CAS: 1382038-45-0
• 化学式: C₂₃H₂₃N₃O₃
• 分子量: 389.454
• InChiKey: NYCKMDKCPUSASG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-羟基色原酮 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 sodium ascorbate 作用下， 以 二甲基亚砜 、 丙酮 为溶剂， 反应 18.0h， 生成 7-((1-(4-tert-butylbenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4H-chromen-4-one
  参考文献：
  名称：

  Convenient synthesis of novel geiparvarin analogs with potential anti-cancer activity via click chemistry

  摘要：

  Based on the advantages of natural products in new anti-cancer drug development, we synthesized a series of novel benzopyran-4-one derivatives and evaluated their in vitro anti-cancer activities. The bioassays showed that the majority of the resultant compounds exerted anti-tumor effect against six human cancer cell lines to various extents, which supported the rationale of the design. Compound 5s exhibited highest potency of all the synthesized compounds. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.04.026

文献信息

• Convenient synthesis of novel geiparvarin analogs with potential anti-cancer activity via click chemistry
  作者：Yikai Zhang、Zhiliang Lv、Hanyu Zhong、Dongping Geng、Mingfeng Zhang、Tao Zhang、Yongmei Li、Ke Li

  DOI：10.1016/j.ejmech.2012.04.026

  日期：2012.7

  Based on the advantages of natural products in new anti-cancer drug development, we synthesized a series of novel benzopyran-4-one derivatives and evaluated their in vitro anti-cancer activities. The bioassays showed that the majority of the resultant compounds exerted anti-tumor effect against six human cancer cell lines to various extents, which supported the rationale of the design. Compound 5s exhibited highest potency of all the synthesized compounds. (C) 2012 Elsevier Masson SAS. All rights reserved.