1-(4-(4-acetylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl)-2-oxo-N-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxamide | 1253416-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-(4-acetylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl)-2-oxo-N-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxamide
• 英文别名: 1-[4-(4-acetylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-N-pyridin-4-ylpyridine-3-carboxamide
• CAS: 1253416-65-7
• 化学式: C₂₆H₂₇N₅O₃
• 分子量: 457.532
• InChiKey: QRKJFFQWCLAZIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS<br/>[FR] ANTAGONISTES À BASE DE PYRIDINONE D'INTÉGRINES ALPHA-4
  申请人：ELAN PHARM INC

  公开号：WO2010126914A1

  公开（公告）日：2010-11-04

  The present invention provides compounds that are alpha4 integrin antagonists having a structure according to the following formula (I) or a tautomer, mixture of tautomers, salt or solvate thereof, wherein Cy, ring A, m, n, p, R1, R2, R3, R4, R5 and R6 are defined in the specification. The invention further provides pharmaceutical compositions including the compounds of the invention as well as methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various conditions and disorders, such as Crohn's disease and ulcerative colitis.

  本发明提供具有以下结构的α4整合素拮抗剂化合物（I）或其互变异构体、互异构体混合物、盐或溶剂化合物，其中Cy、环A、m、n、p、R1、R2、R3、R4、R5和R6在规范中定义。该发明还提供包括本发明化合物的药物组合物，以及制备和使用本发明化合物和组合物的方法，例如在治疗和预防各种疾病和疾病，如克罗恩病和溃疡性结肠炎中的应用。
• PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：US20130252957A1

  公开（公告）日：2013-09-26

  The present invention provides compounds that are alpha4 integrin antagonists having a structure according to the following formula: or a tautomer, mixture of tautomers, salt or solvate thereof, wherein Cy, ring A, m, n, p, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are defined in the specification. The invention further provides pharmaceutical compositions including the compounds of the invention as well as methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various conditions and disorders, such as Crohn's disease and ulcerative colitis.

  本发明提供具有以下结构的α4整合素拮抗剂化合物：或其互变异构体，互变异构体混合物，盐或溶剂化物，其中Cy，环A，m，n，p，R1，R2，R3，R4，R5和R6在说明书中定义。本发明还提供包括本发明化合物的制药组合物，以及使用本发明化合物和组合物的方法，例如在治疗和预防各种疾病和障碍，如克罗恩病和溃疡性结肠炎中。
• US8367836B2
  申请人：——

  公开号：US8367836B2

  公开（公告）日：2013-02-05