1-(3-(2,4-dichlorobenzyloxy)-3-(furan-2-yl)propyl)-1H-1,2,4-triazole | 1296876-82-8

• 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: 1-(3-(2,4-dichlorobenzyloxy)-3-(furan-2-yl)propyl)-1H-1,2,4-triazole
• 英文别名: 1-[3-[(2,4-Dichlorophenyl)methoxy]-3-(furan-2-yl)propyl]-1,2,4-triazole
• CAS: 1296876-82-8
• 化学式: C₁₆H₁₅Cl₂N₃O₂
• 分子量: 352.22
• InChiKey: ZMLXKIKNMZKEDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  53.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(furan-2-yl)-3-(pyrrolidin-1-yl)propan-1-one hydrochloride 在 sodium tetrahydroborate 、 potassium tert-butylate 作用下， 以 甲醇 、 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 2.5h， 生成 1-(3-(2,4-dichlorobenzyloxy)-3-(furan-2-yl)propyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents

  摘要：

  A series of benzyloxy furanyl and benzyloxy thiophenyl azoles were synthesized and screened for their in vitro antileishmanial activity against Leishmania donovani. Among all, 16 compounds have shown more than 90% inhibition against promastigotes at 20 mu M while 11 compounds exhibited IC50 in the range of 3.04-9.39 mu M against amastigotes. Compound 4, a 3-chlorobenzyloxy furanyl imidazole emerged as the most active compound in the series with IC50 value of 3.04 mu M and SI value of 19.80, and was several folds more potent than the reference drugs miltefosine and miconazole. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.021

文献信息

• Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents
  作者：Vijay K. Marrapu、Monika Mittal、Rahul Shivahare、Suman Gupta、Kalpana Bhandari

  DOI：10.1016/j.ejmech.2011.02.021

  日期：2011.5

  A series of benzyloxy furanyl and benzyloxy thiophenyl azoles were synthesized and screened for their in vitro antileishmanial activity against Leishmania donovani. Among all, 16 compounds have shown more than 90% inhibition against promastigotes at 20 mu M while 11 compounds exhibited IC50 in the range of 3.04-9.39 mu M against amastigotes. Compound 4, a 3-chlorobenzyloxy furanyl imidazole emerged as the most active compound in the series with IC50 value of 3.04 mu M and SI value of 19.80, and was several folds more potent than the reference drugs miltefosine and miconazole. (C) 2011 Elsevier Masson SAS. All rights reserved.