N-[3S-amino-2R-hydroxy-4-phenylbutyl]-N'-(1,1-dimethylethyl)-N-(2-methylpropyl)urea hydrochloride salt | 170359-23-6

• 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: N-[3S-amino-2R-hydroxy-4-phenylbutyl]-N'-(1,1-dimethylethyl)-N-(2-methylpropyl)urea hydrochloride salt
• 英文别名: 1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3-tert-butyl-1-(2-methylpropyl)urea;hydrochloride
• CAS: 170359-23-6
• 化学式: C₁₉H₃₃N₃O₂*ClH
• 分子量: 371.951
• InChiKey: SVLMSMHBUFKSFL-MCJVGQIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  78.6
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-[3S-[N-(t-butoxycarbonyl)amino]-2R-hydroxy-4-phenylbutyl]-N'-(1,1-dimethylethyl)-N-(2-methylpropyl)urea 生成 N-[3S-amino-2R-hydroxy-4-phenylbutyl]-N'-(1,1-dimethylethyl)-N-(2-methylpropyl)urea hydrochloride salt 、 N-[3S-amino-2R-hydroxy-4-phenylburyl]-N'-(1,1-dimethylethyl)-N-(2-methylpropyl)urea
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Method of preparing retroviral protease inhibitor intermediates
  申请人：——

  公开号：US20010047111A1

  公开（公告）日：2001-11-29

  Chiral hydroxyethylamine, hydroxyethylurea or hydroxyethylsulfonamide isostere containing retroviral protease and renin inhibitors can be prepared by multi-step syntheses that utilize key chiral amine intermediates. This invention is a cost effective method of obtaining such key chiral amine intermediates enantiomerically, diastereomerically and chemically pure. The method is suitable for large scale (multikilogram) productions. This invention also encompasses organic acid and inorganic acid salts of the amine intermediates.

  手性羟乙基胺、羟乙基脲或羟乙基磺酰胺异构体，包含逆转录病毒蛋白酶和肾素抑制剂，可以通过多步合成制备，利用关键的手性胺中间体。本发明是一种经济有效的方法，可以对这些关键的手性胺中间体进行对映异构体、顺反异构体和化学纯度的制备。该方法适用于大规模（多千克级别）生产。本发明还包括胺中间体的有机酸和无机酸盐。
• Methods of preparing retroviral proteases inhibitor intermediates
  申请人：Ng S. John

  公开号：US20060270855A1

  公开（公告）日：2006-11-30

  Chiral hydroxyethylamine, hydroxyethylurea or hydroxyethylsulfonamide isostere containing retroviral protease and renin inhibitors can be prepared by multi-step syntheses that utilize key chiral amine intermediates. This invention is a cost effective method of obtaining such key chiral amine intermediates enantiomerically, diastereomerically and chemically pure. The method is suitable for large scale (multikilogram) productions. This invention also encompasses organic acid and inorganic acid salts of the amine intermediates.

  手性的羟乙基胺、羟乙基脲或羟乙基磺酰胺异构体含有逆转录病毒蛋白酶和肾素抑制剂，可以通过多步合成制备，利用关键的手性胺中间体。本发明是一种经济有效的方法，可以对这些关键的手性胺中间体进行对映异构体、立体异构体和化学纯度的制备。该方法适用于大规模（多千克级）生产。本发明还包括胺中间体的有机酸和无机酸盐。
• Method for making intermediates useful in synthesis of retroviral protease inhibitors
  申请人：G.D. SEARLE & CO.

  公开号：EP0855388A2

  公开（公告）日：1998-07-29

  A synthesis is described for intermediates which are readily amenable to the large scale preparation of hydroxyethylurea-based chiral HIV protease inhibitors. The method includes forming a cyanohydrin from a chiral alpha amino aldehyde.

  本文介绍了一种易于大规模制备羟乙基脲类手性 HIV 蛋白酶抑制剂的中间体合成方法。该方法包括从手性α-氨基醛中形成氰醇。
• Preparation of aminoepoxides from aminoaldehydes and an in situ formed halomethyl organometallic reagent
  申请人：G.D. SEARLE & CO.

  公开号：EP0970066B1

  公开（公告）日：2003-09-17
• METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS
  申请人：G.D. SEARLE & CO.

  公开号：EP0730570B1

  公开（公告）日：2000-04-19