4-Amino-N-[(1S)-5-({[benzyl(2-thienylmethyl)amino]carbonyl}amino)-1-(hydroxymethyl)pentyl]-N-isobutylbenzenesulfonamide

• 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-Amino-N-[(1S)-5-({[benzyl(2-thienylmethyl)amino]carbonyl}amino)-1-(hydroxymethyl)pentyl]-N-isobutylbenzenesulfonamide
• 英文别名: 3-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-1-benzyl-1-(thiophen-2-ylmethyl)urea
• 化学式: C₂₉H₄₀N₄O₄S₂
• 分子量: 572.793
• InChiKey: BELVCNIPCAQSDE-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  39
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  153
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-苄基-1-(噻吩-2-基)甲胺 、 N,N'-羰基二咪唑 、 Bes(4-NH2)-N(iBu)Lys(Fmoc)(Fmoc)-ol 生成 4-Amino-N-[(1S)-5-({[benzyl(2-thienylmethyl)amino]carbonyl}amino)-1-(hydroxymethyl)pentyl]-N-isobutylbenzenesulfonamide
  参考文献：
  名称：

  Lysine sulfonamides as novel HIV-protease inhibitors: Nε-disubstituted ureas

  摘要：

  A series of lysine sulfonamide analogues bearing a Nepsilon-benzylic ureas was synthesized using both solution-phase and solid-phase approaches. A novel synthetic route of Nalpha-(alkyl)-Nalpha-(sulfonamides)lysinol using alpha-amino-caprolactam was developed. Evaluation of these novel protease inhibitors revealed compounds with high potency against wild-type HIV virus. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.049

文献信息

• Lysine sulfonamides as novel HIV-protease inhibitors: Nε-disubstituted ureas
  作者：Brent R Stranix、Gilles Sauvé、Abderrahim Bouzide、Alexandre Coté、Guy Sévigny、Jocelyn Yelle、Valérie Perron

  DOI：10.1016/j.bmcl.2004.05.049

  日期：2004.8

  A series of lysine sulfonamide analogues bearing a Nepsilon-benzylic ureas was synthesized using both solution-phase and solid-phase approaches. A novel synthetic route of Nalpha-(alkyl)-Nalpha-(sulfonamides)lysinol using alpha-amino-caprolactam was developed. Evaluation of these novel protease inhibitors revealed compounds with high potency against wild-type HIV virus. (C) 2004 Elsevier Ltd. All rights reserved.