(4R)-3-[(2S,3S)-2-hydroxy-3-(4-hydroxybutanoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (4R)-3-[(2S,3S)-2-hydroxy-3-(4-hydroxybutanoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide
• 英文别名: (4R)-3-[(2S,3S)-2-hydroxy-3-(4-hydroxybutanoylamino)-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
• 化学式: C₂₈H₃₇N₃O₅S
• 分子量: 527.7
• InChiKey: FDWNZDJORRKRGE-ZKMPZPQNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis
  申请人：——

  公开号：US20030225071A1

  公开（公告）日：2003-12-04

  Compounds of the formula: 1 where the formula variables are as defined herein, are disclosed that advantageously inhibit or block the biological activity of the HIV protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with the HIV virus. Intermediates and synthetic methods for preparing such compounds are also described.

  公式为1的化合物被披露，其中公式变量如此定义，有利地抑制或阻断HIV蛋白酶的生物活性。这些化合物以及包含这些化合物的制药组合物对于治疗感染HIV病毒的患者或宿主是有用的。还描述了制备这些化合物的中间体和合成方法。
• HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS
  申请人：Agouron Acquisition Corp.

  公开号：EP1409466A2

  公开（公告）日：2004-04-21
• US7179918B2
  申请人：——

  公开号：US7179918B2

  公开（公告）日：2007-02-20
• [EN] HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS<br/>[FR] INHIBITEURS DE LA PROTEASE VIH, COMPOSITIONS LES CONTENANT, LEURS UTILISATIONS PHARMACEUTIQUES ET MATERIAUX UTILISES POUR LEUR SYNTHESE
  申请人：AGOURON PHARMA

  公开号：WO2002100844A2

  公开（公告）日：2002-12-19

  Compounds of Formula (I), where the formula variables are as defined herein, are disclosed that advantageously inhibit or block the biological activity of the HIV protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with the HIV virus. Intermediates and synthetic methods for preparing such compounds are also described.