(2S,3S,5S)-5-amino-2-(dibenzylamino)-3-hydroxy-7-methyl-1-phenyloctane | 282539-45-1

• 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: (2S,3S,5S)-5-amino-2-(dibenzylamino)-3-hydroxy-7-methyl-1-phenyloctane
• 英文别名: (2S,3S,5S)-5-amino-2-(dibenzylamino)-7-methyl-1-phenyloctan-3-ol
• CAS: 282539-45-1
• 化学式: C₂₉H₃₈N₂O
• 分子量: 430.634
• InChiKey: WKAFUOAWHQHVQT-AWCRTANDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  49.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2S,3S,5S)-5-amino-2-(dibenzylamino)-3-hydroxy-7-methyl-1-phenyloctane 在 palladium dihydroxide 、 甲酸铵 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 (2S,3S,5S)-5-[N-tert-butyloxycarbonylamino]-2-[N-[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-7-methyl-1-phenyloctane
  参考文献：
  名称：

  Novel lopinavir analogues incorporating non-Aromatic P-1 side chains—Synthesis and structure–Activity relationships

  摘要：

  The HIV protease inhibitor Lopinavir has a pseudosymmetric core unit incorporating benzyl groups at both P-1, P-1' positions. A series of analogues incorporating non-aromatic side chains at the P-1 position were synthesized and the structure-activity relationships explored. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00643-1
• 作为产物：
  描述：

  (7S)-4-amino-7-dibenzylamino-2-methyl-6-oxo-8-phenyl-oct-4-ene 在 sodium tetrahydroborate 、 甲烷磺酸 、 三乙醇胺 作用下， 以 乙二醇二甲醚 为溶剂， 生成 (2S,3S,5S)-5-amino-2-(dibenzylamino)-3-hydroxy-7-methyl-1-phenyloctane
  参考文献：
  名称：

  Novel lopinavir analogues incorporating non-Aromatic P-1 side chains—Synthesis and structure–Activity relationships

  摘要：

  The HIV protease inhibitor Lopinavir has a pseudosymmetric core unit incorporating benzyl groups at both P-1, P-1' positions. A series of analogues incorporating non-aromatic side chains at the P-1 position were synthesized and the structure-activity relationships explored. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00643-1

文献信息

• Aspartic protease inhibitors
  申请人：Randad S. Ramnarayan

  公开号：US20050090546A1

  公开（公告）日：2005-04-28

  The present invention provides an aspartic proteinase-inhibiting compound of the formula: wherein a, b, c, d, and e, can be the same or different and each are R 7 , OR 7 , SR 7 , NR 7 R 7 , NHCOR 7 , CO 2 R 7 , CN, NO 2 , NH 2 , N 3 , or a halogen, wherein R 7 and R 8 are independently H or an alkyl. Substituents R 1 or R 2 are each H or an alkyl. Substituent R 3 is a straight chain or branched alkyl, alkenyl, or alkynyl substituent, or is a cycloalkyl. Substituent A is OH, NH 2 , or SH. Further provided are pharmaceutical compositions, which include a therapeutically effective amount of at least one of the foregoing compounds, and therapeutic methods of using the foregoing compounds.

  本发明提供了一种式如下的天冬氨酸蛋白酶抑制剂化合物： 其中 a、b、c、d 和 e 可以相同或不同，且各自为 R 7 ，OR 7 、SR 7 , NR 7 R 7 , NHCOR 7 , CO 2 R 7 、CN、NO 2 NH 2 , N 3 或卤素，其中 R 7 和 R 8 独立地为 H 或烷基。取代基 R 1 或 R 2 各自为 H 或烷基。取代基 R 3 是直链或支链烷基、烯基或炔基取代基，或者是环烷基。取代基 A 是 OH、NH 2 或 SH。 进一步提供的是药物组合物，其中包括治疗有效量的至少一种前述化合物，以及使用前述化合物的治疗方法。
• ASPARTIC PROTEASE INHIBITORS
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1140846B1

  公开（公告）日：2006-04-05
• US6613764B1
  申请人：——

  公开号：US6613764B1

  公开（公告）日：2003-09-02
• US7132420B2
  申请人：——

  公开号：US7132420B2

  公开（公告）日：2006-11-07
• Novel lopinavir analogues incorporating non-Aromatic P-1 side chains—Synthesis and structure–Activity relationships
  作者：Hing L Sham、Chen Zhao、Leping Li、David A Betebenner、Ayda Saldivar、Sudthida Vasavanonda、Dale J Kempf、Jacob J Plattner、Daniel W Norbeck

  DOI：10.1016/s0960-894x(02)00643-1

  日期：2002.11

  The HIV protease inhibitor Lopinavir has a pseudosymmetric core unit incorporating benzyl groups at both P-1, P-1' positions. A series of analogues incorporating non-aromatic side chains at the P-1 position were synthesized and the structure-activity relationships explored. (C) 2002 Elsevier Science Ltd. All rights reserved.