N-[5-(4-methylphenyl)thiophen-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine | 1610621-42-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[5-(4-methylphenyl)thiophen-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
• CAS: 1610621-42-5
• 化学式: C₂₂H₂₁N₃O₃S₂
• 分子量: 439.559
• InChiKey: XTBYSTANRFOAAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-[5-(4-Methylphenyl)thiophen-3-yl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea 在 硫酸 作用下， 反应 1.0h， 以98%的产率得到N-[5-(4-methylphenyl)thiophen-3-yl]-5-(3,4,5-trimethoxyphenyl)-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.