4-[5-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-4-yl]phenol | 1415596-02-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[5-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-4-yl]phenol
• 英文别名: 4-[5-butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-4-yl]phenol
• CAS: 1415596-02-9
• 化学式: C₂₅H₂₂ClNO₂S
• 分子量: 435.974
• InChiKey: DNVZSCSOTFWBGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  70.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-二乙氨基-1-丙醇 、 4-[5-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-4-yl]phenol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 3-[4-[5-butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
  参考文献：
  名称：

  Synthesis and structure–activity relationships of tri-substituted thiazoles as RAGE antagonists for the treatment of Alzheimer’s disease

  摘要：

  A series of thiazole derivatives were designed, and prepared to develop RAGE antagonist for the treatment of Alzheimer's disease (AD). SAR studies were performed to optimize inhibitory activity on A beta-RAGE binding. SAR studies showed that introducing an amino group at part A was essential for inhibitory activity on A beta-RAGE binding. Compounds selected from A beta-RAGE binding screening displayed inhibitory activity on A beta transport across BBB. They also showed inhibitory activity against A beta-induced NF-kappa B activation. These results indicated that our derivatives had a potential as therapeutic agent for the treatment of AD. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.022
• 作为产物：
  描述：

  4-(4-氯苯氧基)苄腈 在 sodium hydrogen sulfide 、 三溴化硼 、 magnesium chloride 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[5-Butyl-2-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-4-yl]phenol
  参考文献：
  名称：

  Synthesis and structure–activity relationships of tri-substituted thiazoles as RAGE antagonists for the treatment of Alzheimer’s disease

  摘要：

  A series of thiazole derivatives were designed, and prepared to develop RAGE antagonist for the treatment of Alzheimer's disease (AD). SAR studies were performed to optimize inhibitory activity on A beta-RAGE binding. SAR studies showed that introducing an amino group at part A was essential for inhibitory activity on A beta-RAGE binding. Compounds selected from A beta-RAGE binding screening displayed inhibitory activity on A beta transport across BBB. They also showed inhibitory activity against A beta-induced NF-kappa B activation. These results indicated that our derivatives had a potential as therapeutic agent for the treatment of AD. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.022