5-(4-methoxyphenyl)-N-[5-(4-methylphenyl)thiophen-3-yl]-1,3,4-thiadiazol-2-amine | 1610621-44-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-methoxyphenyl)-N-[5-(4-methylphenyl)thiophen-3-yl]-1,3,4-thiadiazol-2-amine
• CAS: 1610621-44-7
• 化学式: C₂₀H₁₇N₃OS₂
• 分子量: 379.506
• InChiKey: JPUNOOZWUANBCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(4-methoxyphenyl)-4-[5-(4-methylphenyl)-3-thienyl]thiosemicarbazide 在 硫酸 作用下， 反应 1.0h， 以90%的产率得到5-(4-methoxyphenyl)-N-[5-(4-methylphenyl)thiophen-3-yl]-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Synthesis and antiproliferative studies of 5-aryl-2-(3-thienylamino)-1,3,4-thiadiazoles

  摘要：

  A series of 5-aryl-2-(3-thienylamino)-1,3,4-thiadiazoles 3a-m were synthesized in good yields in two steps starting from thiophen-3-isothiocyanates. Those compounds as well as the thiosemicarbazide intermediates 2a-m were screened for their antiproliferative activity against a panel of six cancer cell lines. Among them, two 5-aryl-2-(3-thienylamino)-1,3,4-thiadiazoles (3f and 3i) have shown very interesting results with IC50 < 10 mu M on three cell lines. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.043

文献信息

• Synthesis and antiproliferative studies of 5-aryl-2-(3-thienylamino)-1,3,4-thiadiazoles
  作者：Germain Revelant、Charlène Gadais、Véronique Mathieu、Gilbert Kirsch、Stéphanie Hesse

  DOI：10.1016/j.bmcl.2014.04.043

  日期：2014.6

  A series of 5-aryl-2-(3-thienylamino)-1,3,4-thiadiazoles 3a-m were synthesized in good yields in two steps starting from thiophen-3-isothiocyanates. Those compounds as well as the thiosemicarbazide intermediates 2a-m were screened for their antiproliferative activity against a panel of six cancer cell lines. Among them, two 5-aryl-2-(3-thienylamino)-1,3,4-thiadiazoles (3f and 3i) have shown very interesting results with IC50 < 10 mu M on three cell lines. (C) 2014 Elsevier Ltd. All rights reserved.