N-(4-氯苯基)-N-[2,3-二氢-1-甲基-5-(1-甲基乙基)-3-氧代-2-苯基-1H-吡唑-4-基]-脲 | 903895-98-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N-(4-氯苯基)-N-[2,3-二氢-1-甲基-5-(1-甲基乙基)-3-氧代-2-苯基-1H-吡唑-4-基]-脲
• 英文名称: N-(4-chlorophenyl)-N'-[2,3-dihydro-1-methyl-5-(1-methylethyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]urea
• 英文别名: 3-(4-Chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea；1-(4-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
• CAS: 903895-98-7
• 化学式: C₂₀H₂₁ClN₄O₂
• 分子量: 384.865
• InChiKey: PAEBEUZTAPIOIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-amino-5-isopropyl-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 、 对氯苯异氰酸酯 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-(4-氯苯基)-N-[2,3-二氢-1-甲基-5-(1-甲基乙基)-3-氧代-2-苯基-1H-吡唑-4-基]-脲
  参考文献：
  名称：

  Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents

  摘要：

  We report the discovery of potent agonists for the human formyl-peptide-like 1 receptor (hFPRL1). These compounds did not act at a closely related receptor denoted human formyl peptide receptor (hFPR) up to 10 mu M concentration. Recent studies have indicated that agonizing this receptor may promote resolution of inflammation. In an exploratory study, a novel hFPRL1 agonist showed efficacy in a mouse ear inflammation model following oral administration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.068

文献信息

• TARGETING OF THE FORMYL-PEPTIDE RECEPTOR 2/LIPOXIN A4 RECEPTOR (FPR2/ALX) FOR TREATMENT OF HEART DISEASE
  申请人：Bristol-Myers Squibb Company

  公开号：EP3380091A1

  公开（公告）日：2018-10-03
• [EN] TARGETING OF THE FORMYL-PEPTIDE RECEPTOR 2/LIPOXIN A4 RECEPTOR (FPR2/ALX) FOR TREATMENT OF HEART DISEASE<br/>[FR] CIBLAGE DU RÉCEPTEUR 2 DE PEPTIDE FORMYLE / DU RÉCEPTEUR DE LA LIPOXINE A4 (FPR2/ALX) POUR LE TRAITEMENT DE MALADIES CARDIAQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017091496A1

  公开（公告）日：2017-06-01

  The disclosure generally relates to a therapeutic approach based on the stimulation of resolution of inflammation by the Formyl-Peptide Receptor 2/Lipoxin A4 receptor (FPR2/ALX) for the treatment of heart disease.
• Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents
  作者：Roland W. Bürli、Han Xu、Xiaoming Zou、Kristine Muller、Jennifer Golden、Mike Frohn、Matthew Adlam、Matthew H. Plant、Min Wong、Michele McElvain、Kelly Regal、Vellarkad N. Viswanadhan、Philip Tagari、Randall Hungate

  DOI：10.1016/j.bmcl.2006.04.068

  日期：2006.7

  We report the discovery of potent agonists for the human formyl-peptide-like 1 receptor (hFPRL1). These compounds did not act at a closely related receptor denoted human formyl peptide receptor (hFPR) up to 10 mu M concentration. Recent studies have indicated that agonizing this receptor may promote resolution of inflammation. In an exploratory study, a novel hFPRL1 agonist showed efficacy in a mouse ear inflammation model following oral administration. (c) 2006 Elsevier Ltd. All rights reserved.