(3S)-7-[3-(Amidinoaminooxy)propoxy]-2-(butylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | 398522-26-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (3S)-7-[3-(Amidinoaminooxy)propoxy]-2-(butylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• 英文别名: (3S)-2-butylsulfonyl-7-[3-(diaminomethylideneamino)oxypropoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
• CAS: 398522-26-4
• 化学式: C₁₈H₂₈N₄O₆S
• 分子量: 428.51
• InChiKey: ZPCLQOJFTNZFOB-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  166
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020037897A1

  公开（公告）日：2002-03-28

  The present invention relates to novel tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidine compounds that are antagonists of alpha V (&agr;v) integrins, for example &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, including conditions such as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneration, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula: 1 where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 R 8 , R 9 , R 10 , m and n are defined herein.

  本发明涉及一种新型的四氢异喹啉-3-羧酸烷氧基胍化合物，它们是αV（αv）整合素的拮抗剂，例如αvβ3和αvβ5整合素，其药学上可接受的盐和制药组合物。这些化合物可用于治疗由αvβ3和αvβ5整合素介导的病理性状况，包括肿瘤生长、转移、再狭窄、骨质疏松、炎症、黄斑变性、糖尿病视网膜病变和类风湿性关节炎等病症。这些化合物具有下列通式：其中，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、m和n在本文中有定义。
• US6486174B2
  申请人：——

  公开号：US6486174B2

  公开（公告）日：2002-11-26
• [EN] TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID ALKOXYGUANIDINES AS INTEGRIN ANTAGONISTS<br/>[FR] ALCOXYGUANIDINES D'ACIDE TÉTRAHYDROÏSOQUINOLINE-3-CARBOXYLIQUE CONVENANT COMME ANTAGONISTES DE L'INTÉGRINE
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2002012193A1

  公开（公告）日：2002-02-14

  The present invention relates to novel tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidine compounds that are antagonists of alpha V (αv) integrins, for example αvβ3 and αvβ5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by αvβ3 and αvβ5 integrins, including conditions such as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneration, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula (I) where R?1, R2, R3, R4, R5, R6, R7, R8, R9, R10¿, m and n are defined herein.