(2S)-2-[(4-bromo-2,5-difluorophenyl)sulfonylamino]-3-[4-[3-(diaminomethylideneamino)oxypropoxy]phenyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-[(4-bromo-2,5-difluorophenyl)sulfonylamino]-3-[4-[3-(diaminomethylideneamino)oxypropoxy]phenyl]propanoic acid
• 化学式: C₁₉H₂₁BrF₂N₄O₆S
• 分子量: 551.4
• InChiKey: RIRRTOKHHUXNCP-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  175
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1159262A1

  公开（公告）日：2001-12-05
• US6344484B1
  申请人：——

  公开号：US6344484B1

  公开（公告）日：2002-02-05
• [EN] TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS<br/>[FR] TYROSINE ALCOXYGUANIDINES EN TANT QU'INHIBITEURS DE L'INTEGRINE
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2000047552A1

  公开（公告）日：2000-08-17

  The present invention relates to novel tyrosine alkoxyguanidine compounds that are inhibitors 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 general formula (IV), where R?1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11¿, m and n are defined herein.