6-chloro-2-(4,5-dichloropyrazol-3-yl)benzoxazole | 1073468-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 6-chloro-2-(4,5-dichloropyrazol-3-yl)benzoxazole
• 英文别名: 6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole
• CAS: 1073468-93-5
• 化学式: C₁₀H₄Cl₃N₃O
• 分子量: 288.52
• InChiKey: ZVCGVXRSDFMHIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,5-dichloropyrazole-3-carboxylic acid 、 2-氨基-5-氯苯酚 在 polyphosphoric acid 作用下， 反应 18.0h， 生成 6-chloro-2-(4,5-dichloropyrazol-3-yl)benzoxazole
  参考文献：
  名称：

  3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1

  摘要：

  Investigation of 1N-substituted pyrazole-3-carboxanilides as 15-lipoxygenase-1 (15-LOX-1) inhibitors demonstrated that the 1N-substituent was not essential for activity or selectivity. Additional halogen substituents on the pyrazole ring, however, increased activity. Further development led to triazole-4-carboxanilides and 2-(3-pyrazolyl) benzoxazoles, which are potent and selective 15-LOX-1 inhibitors. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.004

文献信息

• 3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1
  作者：Benjamin Pelcman、Andrei Sanin、Peter Nilsson、Kiyo No、Wesley Schaal、Sara Öhrman、Christian Krog-Jensen、Pontus Forsell、Anders Hallberg、Mats Larhed、Thomas Boesen、Hasse Kromann、Stine Byskov Vogensen、Thomas Groth、Hans-Erik Claesson

  DOI：10.1016/j.bmcl.2015.05.004

  日期：2015.8

  Investigation of 1N-substituted pyrazole-3-carboxanilides as 15-lipoxygenase-1 (15-LOX-1) inhibitors demonstrated that the 1N-substituent was not essential for activity or selectivity. Additional halogen substituents on the pyrazole ring, however, increased activity. Further development led to triazole-4-carboxanilides and 2-(3-pyrazolyl) benzoxazoles, which are potent and selective 15-LOX-1 inhibitors. (C) 2015 Elsevier Ltd. All rights reserved.