N-(4-fluorobenzyl)-3,4-(ethylenedioxy)benzylamine | 500221-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: N-(4-fluorobenzyl)-3,4-(ethylenedioxy)benzylamine
• 英文别名: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorobenzyl)amine；N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)methanamine
• CAS: 500221-68-1
• 化学式: C₁₆H₁₆FNO₂
• 分子量: 273.307
• InChiKey: XEFVYQYOAPFZRO-UHFFFAOYSA-N

物化性质

• 沸点：
  389.3±30.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-羰基二咪唑 、 N-(4-fluorobenzyl)-3,4-(ethylenedioxy)benzylamine 、 Bes(4-NH2)-N(isoamyl)Lys(Fmoc)(Fmoc)-ol 生成 4-Amino-N-{(S)-5-[3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-3-(4-fluoro-benzyl)-ureido]-1-hydroxymethyl-pentyl}-N-(3-methyl-butyl)-benzenesulfonamide
  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

• UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS
  申请人：Ambrilia Biopharma Inc.

  公开号：EP1480941B1

  公开（公告）日：2011-01-26
• US6528532B1
  申请人：——

  公开号：US6528532B1

  公开（公告）日：2003-03-04
• [EN] UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS<br/>[FR] DERIVES DE L'UREE INHIBITEURS DE L'ASPARTYL PROTEASE DU VIH
  申请人：PHARMACOR INC

  公开号：WO2003074467A2

  公开（公告）日：2003-09-12

  The present invention provides HIV aspartyl protease inhibitors of the formula (I): and when the compound of formula I comprises an amino group, pharmaceutically acceptable ammonium salts thereof, wherein n is 3 or 4, Y is O, S, NH or N-CN, wherein Cx may be, for example COOH, or CH20H, wherein R1 is selected from the group consisting of a benzenesulfonyl group of formula II as defined herein, wherein R2 may be, for example, iso-butyl, or 3-methylbutyl, and wherein R3 and R4 areas defined herein.
• 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.