(2S,3R,4R,5S)-3,4-Dihydroxy-2,5-di-(N-(N-(3-pyridylacetyl))-valinyl)-amino-1,6-diphenylhexane

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,3R,4R,5S)-3,4-Dihydroxy-2,5-di-(N-(N-(3-pyridylacetyl))-valinyl)-amino-1,6-diphenylhexane
• 英文别名: (2S)-N-[(1S,2R,3R,4S)-1-benzyl-2,3-dihydroxy-4-[[(2S)-3-methyl-2-[[2-(3-pyridyl)acetyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[2-(3-pyridyl)acetyl]amino]butanamide；(2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[(2-pyridin-3-ylacetyl)amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[(2-pyridin-3-ylacetyl)amino]butanamide
• 化学式: C₄₂H₅₂N₆O₆
• 分子量: 736.911
• InChiKey: BORBLJWSPMYCBJ-PVDPUWTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  54
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  183
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• Retroviral protease inhibiting compounds
  申请人：ABBOTT LABORATORIES

  公开号：EP0402646A1

  公开（公告）日：1990-12-19

  A retroviral protease inhibiting compound of the formula or a pharmaceutical acceptable salt, prodrug or ester thereof, wherein X is a linking group; A is (1) substituted amino, (2) substituted carbonyl, (3) functionalized imino, (4) functionalized alkyl, (5) functionalized acyl, (6) functionalized heterocyclic or (7) functionalized (heterocyclic)alkyl; and B is (1) substituted carbonyl independently defined as herein, (2) substituted amino independently defined as herein, (3) functionalized imino independently defined as herein, (4) functionalized alkyl independently defined as herein, (5) functionalized acyl independently defined as herein, (6) functionalized heterocyclic independently defined as herein or (7) functionalized (heterocyclic)alkyl independently defined as herein.

  式中的逆转录病毒蛋白酶抑制化合物 或其药物可接受的盐、原药或酯，其中 X 是连接基团； A 是 (1) 取代的氨基 (2) 取代的羰基 (3) 官能化亚氨基 (4) 官能化烷基 (5) 官能化酰基 (6) 官能化杂环或 (7) 官能化（杂环）烷基；且 B 是 (1) 如本文所独立定义的取代的羰基、 (2) 如本文所独立定义的取代氨基 (3) 如本文所独立定义的官能化亚氨基 (4) 如本文所独立定义的官能化烷基、 (5) 如本文所独立定义的官能化酰基、 (6) 如本文所独立定义的官能化杂环，或 (7) 本文独立定义的官能化（杂环）烷基。
• Intermediates for preparating non-peptide retroviral protease inhibitors
  申请人：ABBOTT LABORATORIES

  公开号：EP0839798A2

  公开（公告）日：1998-05-06

  Intermediates, for preparing non-peptide retroviral protease inhibitors, said intermediates having the formula: or an acid addition salt thereof or an N-protected derivative thereof wherein at each occurrence the N-protecting group is independently selected from the group consisting of formyl, acetyl, pivaloyl, t-butylacetyl, t-butyloxycarbonyl, benzyloxycarbonyl, benzyl and isopropylaminocarbonyl; or said intermediates being selected from: (2S,3R,4S,5S)-2,5-di-(N-(Cbz-valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane; (2S,3S,4S,5S)-2,5-di-(N-(Cbz-valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane; (2S,3R,4R,5S)-2,5-di-(N-(Cbz-valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane; (2S,3S,4S,5S)-2,5-di-(N-(valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane; (2S,3R,4S,5S)-2,5-di-(N-(valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane; (2S,3R,4R,5S)-2,5-di-(N-(valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane; (2S,3S,4R,5S)-2-(N-(t-butyloxy)carbonyl)amino)-5-(N-(Cbz-valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane; 2-(N-benzyl-N-(benzyloxycarbonyl)amino)-5-(t-butyloxycarbonylamino)-1,6-diphenyl-3-hexene-3,4-oxide; 2-amino-5-(t-butyloxycarbonylamino)-1,6-diphenyl-3-hexene-3,4-oxide; and 2,5-di-(t-butyloxycarbonylamino)-1,6-diphenyl-3-hexene-3,4-oxide; or an acid addition salt thereof.

  用于制备非肽类逆转录病毒蛋白酶抑制剂的中间体，所述中间体具有以下式子： 或其酸加成盐或其 N-保护衍生物，其中每次出现时，N-保护基独立选自甲酰、乙酰、特戊酰、叔丁基乙酰、叔丁氧羰基、苄氧羰基、苄基和异丙氨基羰基组成的组；或所述中间体选自以下物质 (2S,3R,4S,5S)-2,5-二(N-(Cbz-缬氨酰)氨基)-3,4-二羟基-1,6-二苯基己烷； (2S,3S,4S,5S)-2,5-二(N-苄氧羰基缬氨酰氨基)-3,4-二羟基-1,6-二苯基己烷； (2S,3R,4R,5S)-2,5-二(N-苄氧羰基缬氨酰氨基)-3,4-二羟基-1,6-二苯基己烷； (2S,3S,4S,5S)-2,5-二(N-(缬氨酰)氨基)-3,4-二羟基-1,6-二苯基己烷； (2S,3R,4S,5S)-2,5-二(N-(缬氨酰)氨基)-3,4-二羟基-1,6-二苯基己烷； (2S,3R,4R,5S)-2,5-二(N-(缬氨酰)氨基)-3,4-二羟基-1,6-二苯基己烷； (2S,3S,4R,5S)-2-(N-(叔丁氧基)羰基)氨基)-5-(N-(Cbz-缬氨酰)氨基)-3,4-二羟基-1,6-二苯基己烷； 2-(N-苄基-N-(苄氧羰基)氨基)-5-(叔丁氧羰基氨基)-1,6-二苯基-3-己烯-3,4-氧化物； 2-氨基-5-(叔丁氧羰基氨基)-1,6-二苯基-3-己烯-3,4-氧化物；以及 2,5-二（叔丁氧羰基氨基）-1,6-二苯基-3-己烯-3,4-氧化物； 或其酸加成盐。
• US5142056A
  申请人：——

  公开号：US5142056A

  公开（公告）日：1992-08-25
• US5545750A
  申请人：——

  公开号：US5545750A

  公开（公告）日：1996-08-13
• US5670675A
  申请人：——

  公开号：US5670675A

  公开（公告）日：1997-09-23