1-(2-Cyclohexylethyl)-1-(2-ethoxyethyl)-3-(3-pyridin-4-ylpropyl)urea | 1243599-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2-Cyclohexylethyl)-1-(2-ethoxyethyl)-3-(3-pyridin-4-ylpropyl)urea
• CAS: 1243599-92-9
• 化学式: C₂₁H₃₅N₃O₂
• 分子量: 361.528
• InChiKey: YYZBTFDHNCNAHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-[3-(4-pyridyl)propylaminocarbonyl]imidazole 、 2-cyclohexyl-N-(2-ethoxyethyl)ethanamine 以 乙酸乙酯 为溶剂， 生成 1-(2-Cyclohexylethyl)-1-(2-ethoxyethyl)-3-(3-pyridin-4-ylpropyl)urea
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 1,1,3-substituted urea derivatives as potent TNF-α production inhibitors

  摘要：

  A three substituted urea derivative, SA13353 (compound 1a), exhibited potent inhibitory activity against lipopolysaccharide (LPS)-induced TNF-alpha production. We focused on the 1,1-substituted moiety (R(1) and R(2)) of SA13353 and investigated substituent effects of this moiety on LPS-induced TNF-alpha production by oral administration in rats. The synthesis of the urea derivatives was performed rapidly in a one-pot manner using a manual synthesizer. Several compounds containing hydrophobic substituents at this moiety showed more potent inhibitory activities than SA13353. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.037

文献信息

• Synthesis and pharmacological evaluation of 1,1,3-substituted urea derivatives as potent TNF-α production inhibitors
  作者：Hiroshi Enomoto、Ayako Sawa、Hiroshi Suhara、Noriyoshi Yamamoto、Hiroyuki Inoue、Chikako Setoguchi、Fumio Tsuji、Masahiro Okamoto、Yoshimasa Sasabuchi、Masato Horiuchi、Masakazu Ban

  DOI：10.1016/j.bmcl.2010.06.037

  日期：2010.8

  A three substituted urea derivative, SA13353 (compound 1a), exhibited potent inhibitory activity against lipopolysaccharide (LPS)-induced TNF-alpha production. We focused on the 1,1-substituted moiety (R(1) and R(2)) of SA13353 and investigated substituent effects of this moiety on LPS-induced TNF-alpha production by oral administration in rats. The synthesis of the urea derivatives was performed rapidly in a one-pot manner using a manual synthesizer. Several compounds containing hydrophobic substituents at this moiety showed more potent inhibitory activities than SA13353. (C) 2010 Elsevier Ltd. All rights reserved.