N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-propyl}-2-ethyl-benzamide

• 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-{(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-propyl}-2-ethyl-benzamide
• 英文别名: N-((1S,2R)-1-Benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-2-ethylbenzamide；2-ethyl-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]benzamide
• 化学式: C₃₀H₃₈N₂O₅S
• 分子量: 538.708
• InChiKey: KSSPPCSVYCLKQN-URLMMPGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Phenylmethyl [2R-hydroxy-3-[(2-methylpropyl)(4-methoxyphenylsulfonyl)amino]-1S-(phenylmethyl)propyl]carbamate 在 palladium on activated charcoal 氢气 作用下， 生成 N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-propyl}-2-ethyl-benzamide
  参考文献：
  名称：

  (Hydroxyethyl) sulfonamide HIV-1 Protease inhibitors: Identification of the 2-methylbenzoyl moiety at P-2

  摘要：

  We have discovered a potent low molecular weight series of HIV-1 Protease inhibitors incorporating the (R)-(hydroxyethyl) sulfonamide isostere.

  DOI：

  10.1016/0960-894x(96)00035-2

文献信息

• Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors
  申请人：Vazquez L. Michael

  公开号：US20070078173A1

  公开（公告）日：2007-04-05

  α- and β-amino acid hydroxyethylamino sulfonamide compounds are effective as retroviral protease inhibitors, and in particular as inhibitors of HIV protease.

  α-和β-氨基酸羟乙基氨磺酰胺化合物可作为逆转录病毒蛋白酶抑制剂，特别是作为HIV蛋白酶的抑制剂。
• ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS
  申请人：Vazquez Michael L.

  公开号：US20090023664A1

  公开（公告）日：2009-01-22

  α- and β-amino acid hydroxyethylamino sulfonamide compounds are effective as retroviral protease inhibitors, and in particular as inhibitors of HIV protease.

  α-和β-氨基酸羟乙基氨磺酰胺化合物是有效的逆转录病毒蛋白酶抑制剂，特别是作为HIV蛋白酶的抑制剂。
• Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors
  申请人：G.D. SEARLE & CO.

  公开号：EP0810209B1

  公开（公告）日：2002-06-05
• METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS
  申请人：Al-Abed Yousef

  公开号：US20130317040A1

  公开（公告）日：2013-11-28

  The present invention is directed to a method of treating systemic lupus erythematosus (SLE) in a subject comprising administering to the subject an amount of an HIV protease inhibitor effective to treat SLE. The present invention is also directed to a pharmaceutical product comprising an HIV protease inhibitor formulated in a pharmaceutically acceptable carrier, and a package insert providing instructions for the administration of the HIV protease inhibitor for the treatment of SLE. In addition, the present invention is directed to the use of an HIV protease inhibitor for the preparation of a medicament for the treatment of SLE.
• US7320983B2
  申请人：——

  公开号：US7320983B2

  公开（公告）日：2008-01-22