4-[[2-Amino-4-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]phenol | 946425-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[[2-Amino-4-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]phenol
• CAS: 946425-28-1
• 化学式: C₁₈H₁₈N₂O₂S
• 分子量: 326.419
• InChiKey: DKZSJJJAWDMWGO-UHFFFAOYSA-N

物化性质

• 沸点：
  542.1±45.0 °C(predicted)
• 密度：
  1.276±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  96.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[[2-Amino-4-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]phenol 、 1-methyl-3-trimethylsilylparabanic acid 以 甲苯 为溶剂， 反应 18.0h， 生成 (5E)-5-[[5-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]imino]-3-methylimidazolidine-2,4-dione
  参考文献：
  名称：

  Synthesis and biological evaluation of analogues of the anti-tumor alkaloid naamidine A

  摘要：

  A small series of derivatives of the alkaloid naamidine A was synthesized and tested in vitro for their ability to inhibit mitogenesis in BaF/ERX cells. Replacement of the imidazole core with a thiazole was found to have only a minor effect on potency, and the 4-metlioxybenzyl substituent of the natural product was shown to be unnecessary for activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.017
• 作为产物：
  描述：

  对羟基苯乙醇 在 吡啶 、 二溴亚砜 、 三氯化硼 、 potassium carbonate 、 戴斯-马丁氧化剂 、 sodium hydrogensulfite 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醚 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 82.33h， 生成 4-[[2-Amino-4-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]phenol
  参考文献：
  名称：

  Synthesis and biological evaluation of analogues of the anti-tumor alkaloid naamidine A

  摘要：

  A small series of derivatives of the alkaloid naamidine A was synthesized and tested in vitro for their ability to inhibit mitogenesis in BaF/ERX cells. Replacement of the imidazole core with a thiazole was found to have only a minor effect on potency, and the 4-metlioxybenzyl substituent of the natural product was shown to be unnecessary for activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.017

文献信息

• Synthesis and biological evaluation of analogues of the anti-tumor alkaloid naamidine A
  作者：Nicholas Aberle、Jenny Catimel、Edouard C. Nice、Keith G. Watson

  DOI：10.1016/j.bmcl.2007.04.017

  日期：2007.7

  A small series of derivatives of the alkaloid naamidine A was synthesized and tested in vitro for their ability to inhibit mitogenesis in BaF/ERX cells. Replacement of the imidazole core with a thiazole was found to have only a minor effect on potency, and the 4-metlioxybenzyl substituent of the natural product was shown to be unnecessary for activity. (c) 2007 Elsevier Ltd. All rights reserved.