1-(4-chlorophenyl)-3-(4-(3-(diethylamino)propoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)urea | 1190953-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-chlorophenyl)-3-(4-(3-(diethylamino)propoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)urea
• 英文别名: 1-(4-chlorophenyl)-3-[4-[3-(diethylamino)propoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
• CAS: 1190953-84-4
• 化学式: C₂₄H₃₀ClN₅O₂
• 分子量: 455.988
• InChiKey: JFZAEBICGWMIMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-chloro-phenyl)-3-[4-hydroxy-3-(2-methyl-2H-pyrazol-3-yl)-phenyl]-urea 、 3-二乙氨基-1-丙醇 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 1-(4-chlorophenyl)-3-(4-(3-(diethylamino)propoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)urea
  参考文献：
  名称：

  Solubilized phenyl-pyrazole ureas as potent, selective 5-HT2A inverse-agonists and their application as antiplatelet agents

  摘要：

  Potent 5-HT2A inverse-agonists containing phenyl-pyrazole ureas with an amino side chain were identified. Optimization of this series resulted in selective compounds that proved effective in modulating 5HT-induced amplification of ADP-stimulated human platelet aggregation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.073

文献信息

• Solubilized phenyl-pyrazole ureas as potent, selective 5-HT2A inverse-agonists and their application as antiplatelet agents
  作者：Peter I. Dosa、Sonja Strah-Pleynet、Honnappa Jayakumar、Martin Casper、Marc Decaire、Yifeng Xiong、Juerg Lehmann、Karoline Choi、Katie Elwell、Amy Wong、Robert R. Webb、John W. Adams、Juan Ramirez、Jeremy G. Richman、William Thomsen、Graeme Semple、Bradley R. Teegarden

  DOI：10.1016/j.bmcl.2009.07.073

  日期：2009.9

  Potent 5-HT2A inverse-agonists containing phenyl-pyrazole ureas with an amino side chain were identified. Optimization of this series resulted in selective compounds that proved effective in modulating 5HT-induced amplification of ADP-stimulated human platelet aggregation. (C) 2009 Elsevier Ltd. All rights reserved.