(2S)-2-[({1-[(2,6-dichlorophenyl)sulfonyl]-3-piperidinyl}carbonyl)amino]-3-(2'-methyl[1,1'-biphenyl]-4-yl)propanoic acid | 345638-53-1

• 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-[({1-[(2,6-dichlorophenyl)sulfonyl]-3-piperidinyl}carbonyl)amino]-3-(2'-methyl[1,1'-biphenyl]-4-yl)propanoic acid
• 英文别名: (2S)-2-[[1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-[4-(2-methylphenyl)phenyl]propanoic acid
• CAS: 345638-53-1
• 化学式: C₂₈H₂₈Cl₂N₂O₅S
• 分子量: 575.513
• InChiKey: PLGMIPAKAFWJNO-QBGQUKIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Beta-amino acid compounds as integrin antagonists
  申请人：——

  公开号：US20040029883A1

  公开（公告）日：2004-02-12

  The present invention relates to compounds of general formula (I), wherein the residues R represent organic radicals, X represents a bond, oxygen or —NR12 and Y represents oxygen or sulfur, processes for their preparation, pharmaceutical compositions containing them as well as their use for the production of pharmaceutical compositions for the treatment of inflammatory, autoimmune and immune diseases.

  本发明涉及通式（I）化合物（其中残基 R 代表有机基，X 代表键、氧或-NR12，Y 代表氧或硫）、其制备工艺、含有它们的药物组合物以及它们在生产治疗炎症、自身免疫和免疫疾病的药物组合物中的用途。
• BETA-AMINO ACID COMPOUNDS AS INTEGRIN ANTAGONISTS
  申请人：Bayer Aktiengesellschaft

  公开号：EP1246800A1

  公开（公告）日：2002-10-09
• US6794386B2
  申请人：——

  公开号：US6794386B2

  公开（公告）日：2004-09-21
• [EN] beta -AMINO ACID COMPOUNDS AS INTEGRIN ANTAGONISTS<br/>[FR] COMPOSES D'ACIDE AMINE beta UTILISES COMME ANTAGONISTES DE L'INTEGRINE
  申请人：BAYER AG

  公开号：WO2001047887A1

  公开（公告）日：2001-07-05

  The present invention relates to compounds of general formula (I), wherein the residues R represent organic radicals, X represents a bond, oxygen or -NR12 and Y represents oxygen or sulfur, processes for their preparation, pharmaceutical compositions containing them as well as their use for the production of pharmaceutical compositions for the treatment of inflammatory, autoimmune and immune diseases.