1-[2-(2,4-Dichlorophenyl)-2-(2-naphthylmethoxy)ethyl]-1,2,4-triazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[2-(2,4-Dichlorophenyl)-2-(2-naphthylmethoxy)ethyl]-1,2,4-triazole
• 英文别名: 1-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]-1,2,4-triazole
• 化学式: C₂₁H₁₇Cl₂N₃O
• 分子量: 398.291
• InChiKey: ISNSLQXTAAHWNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,4-二氯苯乙酮 在 sodium tetrahydroborate 、 溴 、 sodium hydride 、 三乙胺 作用下， 以 甲醇 、 乙醚 、 氯仿 、 乙腈 为溶剂， 反应 8.0h， 生成 1-[2-(2,4-Dichlorophenyl)-2-(2-naphthylmethoxy)ethyl]-1,2,4-triazole
  参考文献：
  名称：

  Aromatic ethers of 1-aryl 2-(1H-azolyl)ethanol: study of antifungal activity

  摘要：

  Aromatic ethers related to antifungal azole miconazole were synthesized and tested against various strains of Candida. We found that activity is related to the nature of the aromatic ring and the position of substituents on this ring. Activity is more strongly dependent on the substituent in the 2 position of the ethyl chain than on the aromatic group linked through the oxygen. Triazoles were always less potent than the corresponding imidazole analogues.

  DOI：

  10.1016/0223-5234(96)88315-2

文献信息

• Discovery of a small molecule targeting ULK1-modulated cell death of triple negative breast cancer in vitro and in vivo
  作者：Lan Zhang、Leilei Fu、Shouyue Zhang、Jin Zhang、Yuqian Zhao、Yaxin Zheng、Gu He、Shengyong Yang、Liang Ouyang、Bo Liu

  DOI：10.1039/c6sc05368h

  日期：——

  ULK1 is identified as a target in TNBC; thus a small-molecule agonist is discovered by targeting ULK1-modulated cell death, associated with autophagy and apoptosis.

  ULK1 被确定为 TNBC 的靶点；因此，通过靶向 ULK1 调控的细胞死亡（与自噬和细胞凋亡相关），发现了一种小分子激动剂。
• Aromatic ethers of 1-aryl 2-(1H-azolyl)ethanol: study of antifungal activity
  作者：Y Wahbi、R Caujolle、C Tournaire、M Payard、M.D. Linas、J.P. Seguela

  DOI：10.1016/0223-5234(96)88315-2

  日期：1995.1

  Aromatic ethers related to antifungal azole miconazole were synthesized and tested against various strains of Candida. We found that activity is related to the nature of the aromatic ring and the position of substituents on this ring. Activity is more strongly dependent on the substituent in the 2 position of the ethyl chain than on the aromatic group linked through the oxygen. Triazoles were always less potent than the corresponding imidazole analogues.