3-(2-hydroxy-3-((S)-octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)phenylamino)-4-((R)-1-(5-methylfuran-2-yl)propylamino)cyclobut-3-ene-1,2-dione | 1383452-96-7

• 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: 3-(2-hydroxy-3-((S)-octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)phenylamino)-4-((R)-1-(5-methylfuran-2-yl)propylamino)cyclobut-3-ene-1,2-dione
• 英文别名: 3-(2-hydroxy-3-((S)-octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)anilino)-4-((R)-1-(5-methylfuran-2-yl)propylamino)cyclobut-3-ene-1,2-dione；3-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-hydroxyanilino]-4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione
• CAS: 1383452-96-7
• 化学式: C₂₆H₃₀N₄O₅
• 分子量: 478.548
• InChiKey: KFIRCJNMWFJRFZ-FUHWJXTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• [EN] BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS<br/>[FR] PHÉNOLS À FONCTIONNALITÉ AMIDE SUBSTITUÉS PAR UN SYSTÈME CYCLIQUE BICYCLIQUE EN TANT QUE MÉDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012080456A1

  公开（公告）日：2012-06-21

  This invention relates to bicyclic ring system substituted amide functionalized phenols of general formula 1, their use as inhibitors of CXCR2 activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin, or eyes, diseases of the peripheral or central nervous system or cancers, as well as pharmaceutical compositions which contain these compounds.

  这项发明涉及通式1的双环环系统取代酰胺功能化酚，其用作CXCR2活性抑制剂，含有这些化合物的药物组合物，以及将其用作治疗和/或预防呼吸系统或消化系统疾病、关节、皮肤或眼睛的炎症性疾病、外周或中枢神经系统疾病或癌症的药剂的方法，以及含有这些化合物的药物组合物。
• BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS
  申请人：GIOVANNINI Riccardo

  公开号：US20120329773A1

  公开（公告）日：2012-12-27

  This invention relates to bicyclic ring system substituted amide functionalized phenols of general formula 1, their use as inhibitors of CXCR2 activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin, or eyes, diseases of the peripheral or central nervous system or cancers, as well as pharmaceutical compositions which contain these compounds.

  这项发明涉及通式1的双环环系统取代酰胺功能化酚，其用作CXCR2活性抑制剂，含有相同化合物的药物组合物，以及将其用作治疗和/或预防呼吸道或胃肠道疾病、关节、皮肤或眼睛的炎症性疾病、外周或中枢神经系统疾病或癌症的药剂的方法，以及含有这些化合物的药物组合物。
• [EN] CXCR-2 INHIBITORS FOR TREATING CRYSTAL ARTHROPATHY DISORDERS<br/>[FR] INHIBITEURS DU CXCR-2 PERMETTANT DE TRAITER DES TROUBLES ASSOCIÉS À UNE ARTHROPATHIE CRISTALLINE
  申请人：ARDEA BIOSCIENCES INC

  公开号：WO2017156270A1

  公开（公告）日：2017-09-14

  N-(2-((2,3-difluorobenzyl)thio)-6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)pyrimidin-4-yl)azetidine-1-sulfonamide (compound 3) and N-(6-(((2R,3S)-3,4-dihydroxy butan-2-yl)oxy)-2-((4-fluoro benzyl)thio)pyrimidin-4-yl)-3-methylazetidine-1-sulfonamide(compound 4) are known chemokine modulators and are therefore useful in the treatment of diseases/conditions in which modulation of chemokine receptor activity is beneficial. In particular, provided herein are compositions and methods for the treatment and prevention of gout.

  N-(2-((2,3-二氟苄基)硫基)-6-(((2R,3S)-3,4-二羟基丁-2-基)氧基)嘧啶-4-基)氮杂环丙磺酰胺（化合物3）和N-(6-(((2R,3S)-3,4-二羟基丁-2-基)氧基)-2-((4-氟苄基)硫基)嘧啶-4-基)-3-甲基氮杂环丙磺酰胺（化合物4）是已知的化学调节剂，因此在调节趋化因子受体活性有益的疾病/症状的治疗中很有用。特别提供了用于痛风的治疗和预防的组合物和方法。
• CXCR-2 inhibitors for treating crystal arthropathy disorders
  申请人：ARDEA BIOSCIENCES, INC.

  公开号：US10772886B2

  公开（公告）日：2020-09-15

  N-(2-((2,3-difluorobenzyl)thio)-6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)pyrimidin-4-yl)azetidine-1-sulfonamide (compound 3) and N-(6-(((2R,3S)-3,4-dihydroxy butan-2-yl)oxy)-2-((4-fluorobenzyl)thio)pyrimidin-4-yl)-3-methyl-azetidine-1-sulfonamide (compound 4) are known chemokine modulators and are therefore useful in the treatment of diseases/conditions in which modulation of chemokine receptor activity is beneficial. In particular, provided herein are compositions and methods for the treatment and prevention of gout.

  N-(2-((2,3-二氟苄基)硫)-6-(((2R,3S)-3,4-二羟基丁-2-基)氧基)嘧啶-4-基)氮杂环丁烷-1-磺酰胺（化合物 3）和 N-(6-(((2R,3S)-3、6-(((2R,3S)-3,4-二羟基丁-2-基)氧基)-2-((4-氟苄基)硫基)嘧啶-4-基)-3-甲基氮杂环丁烷-1-磺酰胺（化合物 4）是已知的趋化因子调节剂，因此可用于治疗有利于调节趋化因子受体活性的疾病/病症。本文特别提供了治疗和预防痛风的组合物和方法。
• CXCR-2 INHIBITORS FOR TREATING DISORDERS
  申请人：ARDEA BIOSCIENCES, INC.

  公开号：US20180221312A1

  公开（公告）日：2018-08-09

  N-(6-(((2R,3S)-3,4-dihydroxy butan-2-yl)oxy)-2-((4-fluoro benzyl)thio)pyrimidin-4-yl)-3-methylazetidine-1-sulfonamide (compound 4), a known chemokine modulator, in combination with colchicine is useful in the treatment of diseases/conditions in which modulation of chemokine receptor activity, interleukin-1 (IL-1) activity, and/or myeloperoxidase (MPO) activity is beneficial. In particular, provided herein are compositions and methods for the treatment and prevention of such diseases/conditions.