(3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[[(5S)-5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl]amino]benzoyl]amino]acetyl]amino]propanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[[(5S)-5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl]amino]benzoyl]amino]acetyl]amino]propanoic acid
• 化学式: C₂₂H₂₃BrClN₅O₇
• 分子量: 584.8
• InChiKey: XROUNTCRSNMMAO-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  193
• 氢给体数：
  8
• 氢受体数：
  8

文献信息

• [EN] META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS<br/>[FR] DÉRIVÉS D'ACIDE AMINOBENZOÏQUE MÉTA-AZACYCLIQUE À TITRE D'ANTAGONISTES DE PAN-INTÉGRINE
  申请人：UNIV SAINT LOUIS

  公开号：WO2017117538A1

  公开（公告）日：2017-07-06

  The present disclosure provides pharmaceutical agents of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such pharmaceutical agents. Methods of using the pharmaceutical agents for the treatment of a variety of diseases and disorders are also provided.

  本公开提供了以下公式的药物代理：其中变量在此处定义。还提供了包含这种药物代理的药物组合物、工具包和制造品。还提供了使用这种药物代理治疗各种疾病和疾病的方法。
• Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists
  申请人：Saint Louis University

  公开号：US10035778B2

  公开（公告）日：2018-07-31

  The present disclosure provides pharmaceutical agents of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such pharmaceutical agents. Methods of using the pharmaceutical agents for the treatment of a variety of diseases and disorders are also provided.

  本公开提供了式中的药剂： 其中的变量在此定义。此外，还提供了包含此类药剂的药物组合物、试剂盒和制成品。还提供了使用这些药剂治疗各种疾病和失调的方法。
• META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS
  申请人：Saint Louis University

  公开号：US20180072684A1

  公开（公告）日：2018-03-15

  The present disclosure provides pharmaceutical agents of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such pharmaceutical agents. Methods of using the pharmaceutical agents for the treatment of a variety of diseases and disorders are also provided.