[2-Formyl-3-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclopenten-1-yl]methyl]phenyl] 2,2,2-trifluoroacetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: [2-Formyl-3-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclopenten-1-yl]methyl]phenyl] 2,2,2-trifluoroacetate
• 英文别名: [2-formyl-3-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclopenten-1-yl]methyl]phenyl] 2,2,2-trifluoroacetate
• 化学式: C₂₁H₂₁F₃N₂O₄
• 分子量: 422.4
• InChiKey: PRLXVFJLORWGOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION
  申请人：GLOBAL BLOOD THERAPEUTICS, INC.

  公开号：US20160039801A1

  公开（公告）日：2016-02-11

  Provided are cycloalkyl- and cycloalkenyl-substituted benzaldehydes and heteroaldehydes of formula (I) that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions containing the modulators, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供的是公式(I)的环烷基和环烯基取代的苯甲醛和杂原子醛，它们作为血红蛋白的别构调节剂，以及它们的制备方法和中间体、含有调节剂的制药组合物，以及用于治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病的方法。
• Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation
  申请人：Global Blood Therapeutics, Inc.

  公开号：US10100043B2

  公开（公告）日：2018-10-16

  Provided are cycloalkyl- and cycloalkenyl-substituted benzaldehydes and heteroaldehydes of formula (I) that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions containing the modulators, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  本发明提供了可作为血红蛋白异构调节剂的式 (I) 环烷基和环烯基取代的苯甲醛和杂醛、制备它们的方法和中间体、含有这些调节剂的药物组合物，以及将它们用于治疗由血红蛋白介导的疾病和可从增加组织含氧量中获益的疾病的方法。
• [EN] SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION<br/>[FR] COMPOSÉS ALDÉHYDES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION POUR ACCROÎTRE L'OXYGÉNATION TISSULAIRE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2014145040A1

  公开（公告）日：2014-09-18

  Provided are cycloalkyl- and cycloalkenyl-substituted benzaldehydes and heteroaldehydes of formula (I) that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions containing the modulators, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from increased tissue oxygenation.