5-methyl-2-[4,4,4-trifluoro-3-hydroxy-3-(5-methanesulfonyl-1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,1-dimethylbutyl]benzamide | 1198784-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5-methyl-2-[4,4,4-trifluoro-3-hydroxy-3-(5-methanesulfonyl-1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,1-dimethylbutyl]benzamide
• 英文别名: 5-methyl-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-methylsulfonyl-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]pentan-2-yl]benzamide
• CAS: 1198784-89-2
• 化学式: C₂₃H₂₆F₃N₃O₄S
• 分子量: 497.538
• InChiKey: REUVSRMMZZHICK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof
  申请人：Harcken Christian

  公开号：US20090325988A1

  公开（公告）日：2009-12-31

  Compounds of Formula (I) wherein R 1 , R 2 , X, and Y are as defined herein, or a tautomer, optical isomer, prodrug, co-crystal, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.

  化合物的公式（I），其中R1，R2，X和Y的定义如本文所述，或其互变异构体，光学异构体，前药，共晶体或盐；含有这些化合物的药物组合物，以及使用这些化合物调节糖皮质激素受体功能的方法，治疗由糖皮质激素受体功能介导或以炎症，过敏或增殖过程为特征的疾病状态或病情的方法。
• GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2300472B1

  公开（公告）日：2012-01-18
• US8268859B2
  申请人：——

  公开号：US8268859B2

  公开（公告）日：2012-09-18
• [EN] GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF<br/>[FR] MIMÉTIQUES DE GLUCOCORTICOÏDES, LEURS PROCÉDÉS DE FABRICATION, DES COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009149139A1

  公开（公告）日：2009-12-10

  Compounds of Formula I wherein R1, R2, X, and Y are as defined herein, or a tautomer, optical isomer, prodrug, co-crystal, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.