5-[3-(N-tert-Butoxycarbonyl-N-phenylmethylamino)-propylamino]-pentan-1-ol | 213772-71-5

• 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: 5-[3-(N-tert-Butoxycarbonyl-N-phenylmethylamino)-propylamino]-pentan-1-ol
• 英文别名: tert-butyl N-benzyl-N-[3-(5-hydroxypentylamino)propyl]carbamate
• CAS: 213772-71-5
• 化学式: C₂₀H₃₄N₂O₃
• 分子量: 350.502
• InChiKey: AYJSERUYZQVBMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-[3-(N-tert-Butoxycarbonyl-N-phenylmethylamino)-propylamino]-pentan-1-ol 在 sodium tetrahydroborate 、 重铬酸吡啶 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.17h， 生成 tert-butyl N-benzyl-N-[3-[[5-[benzyl-[3-[benzyl-[5-[3-[benzyl(tert-butoxycarbonyl)amino]propyl-tert-butoxycarbonyl-amino]pentanoyl]amino]-2-hydroxy-propyl]amino]-5-oxo-pentyl]-tert-butoxycarbonyl-amino]propyl]carbamate
  参考文献：
  名称：

  New anti-HIV derivatives: synthesis and antiviral evaluation

  摘要：

  A small focused library of 18 compounds incorporating the motif 1,3-(N,N'-dibenzyl)diamino-2-propanol has been synthesized, using adapted synthetic methodologies. These series of compounds were evaluated for their in vitro anti-HIV activity on infected MT(4) cells (syncytium formation observation). Some of the new synthesized compounds show potent anti-HIV activities. EC(50) values for compounds (31, 40, 34, 37 and 46) range From 0.1 to 1 mu M. In order to determine at which level these new derivatives interfere with the HIV replicative cycle, inhibition assays on recombinant HIV protease and HIV integrase have been performed. None of the compounds were found active on these two enzymatic targets. Experiments are in progress in order to identify their biological target within the HIV replicative cycle. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00055-9
• 作为产物：
  描述：

  N-苄基-3-氨基丙醇 在 potassium carbonate 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 乙腈 为溶剂， 反应 126.0h， 生成 5-[3-(N-tert-Butoxycarbonyl-N-phenylmethylamino)-propylamino]-pentan-1-ol
  参考文献：
  名称：

  New anti-HIV derivatives: synthesis and antiviral evaluation

  摘要：

  A small focused library of 18 compounds incorporating the motif 1,3-(N,N'-dibenzyl)diamino-2-propanol has been synthesized, using adapted synthetic methodologies. These series of compounds were evaluated for their in vitro anti-HIV activity on infected MT(4) cells (syncytium formation observation). Some of the new synthesized compounds show potent anti-HIV activities. EC(50) values for compounds (31, 40, 34, 37 and 46) range From 0.1 to 1 mu M. In order to determine at which level these new derivatives interfere with the HIV replicative cycle, inhibition assays on recombinant HIV protease and HIV integrase have been performed. None of the compounds were found active on these two enzymatic targets. Experiments are in progress in order to identify their biological target within the HIV replicative cycle. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00055-9

文献信息

• Pyrimidinone-1,3-oxathiolane derivatives with antiviral activity
  申请人：Zambon Group S.p.A.

  公开号：US06214833B1

  公开（公告）日：2001-04-10

  Compounds of formula (I) wherein Ra and Rb the same or different, are hydrogen atoms, acyl groups deriving from a lower carboxylic acid or chains of formula (a) useful as reverse transcriptase inhibitors antiviral activity are described.

  式（I）中的化合物，其中Ra和Rb相同或不同，是氢原子，来自较低羧酸的酰基或具有式（a）的链的化合物，可用作逆转录酶抑制剂抗病毒活性。
• PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY
  申请人：ZAMBON GROUP S.p.A.

  公开号：EP0970075A1

  公开（公告）日：2000-01-12
• US6214833B1
  申请人：——

  公开号：US6214833B1

  公开（公告）日：2001-04-10
• [EN] PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY<br/>[FR] DERIVES DE PYRIMIDINONE-1,3-OXATHIOLANE POSSEDANT UNE ACTIVITE ANTIVIRALE
  申请人：ZAMBON GROUP S.P.A.

  公开号：WO1998043972A1

  公开（公告）日：1998-10-08

  (FR) L'invention concerne des composés de la formule (I) dans laquelle Ra et Rb sont semblables ou différents, et représentent des atomes d'hydrogène, des groupes acyles dérivant d'un acide carboxylique inférieur ou des chaînes de la formule (a). Ces composés sont utiles en tant qu'inhibiteurs de la transcriptase inverse possédant une activité antivirale.