4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}phenol | 315707-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}phenol
• 英文别名: 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
• CAS: 315707-07-4
• 化学式: C₁₆H₁₄N₂O₂S
• 分子量: 298.365
• InChiKey: NLYPBWUXDFDDBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  82.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(对羟基苯基)-2-硫脲 、 alpha-溴-4-甲氧基苯乙酮 以 乙醇 为溶剂， 生成 4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}phenol
  参考文献：
  名称：

  2-Anilino-4-aryl-1,3-thiazole inhibitors of valosin-containing protein (VCP or p97)

  摘要：

  Valosin-containing protein (VCP; also known as p97) is a member of the AAA ATPase family with a central role in the ubiquitin-degradation of misfolded proteins. VCP also exhibits antiapoptotic function and metastasis via activation of nuclear factor kappa-B signaling pathway. We have discovered that 2-anilino-4-aryl-1,3-thiazoles are potent drug-like inhibitors of this enzyme. The identified compounds show low nanomolar VCP potency, demonstrate SAR trends, and show activity in a mechanism based cellular assay. This series of compounds represents the first steps towards a novel, small molecule VCP inhibitor as a cancer therapeutic. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.058

文献信息

• 2-Anilino-4-aryl-1,3-thiazole inhibitors of valosin-containing protein (VCP or p97)
  作者：Matthew G. Bursavich、Daniel P. Parker、J. Adam Willardsen、Zhong-Hua Gao、Thaylon Davis、Kirill Ostanin、Rosann Robinson、Ashley Peterson、Daniel M. Cimbora、Ju-Fen Zhu、Burt Richards

  DOI：10.1016/j.bmcl.2010.01.058

  日期：2010.3

  Valosin-containing protein (VCP; also known as p97) is a member of the AAA ATPase family with a central role in the ubiquitin-degradation of misfolded proteins. VCP also exhibits antiapoptotic function and metastasis via activation of nuclear factor kappa-B signaling pathway. We have discovered that 2-anilino-4-aryl-1,3-thiazoles are potent drug-like inhibitors of this enzyme. The identified compounds show low nanomolar VCP potency, demonstrate SAR trends, and show activity in a mechanism based cellular assay. This series of compounds represents the first steps towards a novel, small molecule VCP inhibitor as a cancer therapeutic. (C) 2010 Elsevier Ltd. All rights reserved.