N-(toluene-4-sulfonyl)-N-methyl-L-alaninyl-L-4-(N,N-dimethylcarbamyloxy)phenylalanine | 220544-43-4

• 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: N-(toluene-4-sulfonyl)-N-methyl-L-alaninyl-L-4-(N,N-dimethylcarbamyloxy)phenylalanine
• 英文别名: N-(toluene-4-sulfonyl)-L-N-methylalanyl-L-4-(N,N-dimethylcarbamyloxy)phenylalanine；Tos-N(Me)Ala-Tyr(CONMe2)(CONMe2)-OH；(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[(2S)-2-[methyl-(4-methylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
• CAS: 220544-43-4
• 化学式: C₂₃H₂₉N₃O₇S
• 分子量: 491.565
• InChiKey: ZMBVXWJIISRQDP-JXFKEZNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• ANTI-INFLAMMATORY COMPOSITIONS AND METHOD
  申请人：——

  公开号：US20020039745A1

  公开（公告）日：2002-04-04

  The disclosed invention includes pharmaceutical compositions and methods for treating inflammatory conditions, particularly those that are characterized by increased binding of alpha-9 integrin to one or more of its ligands. Also disclosed are methods for selecting compounds for use in such compositions and methods.

  该公开发明包括药物组合物和治疗炎症病症的方法，特别是那些通过α-9整合素与一个或多个配体的结合增加而表现出来的病症。还公开了选择用于此类组合物和方法的化合物的方法。
• Anti-inflammatory compositions and methods
  申请人：Yednock A. Theodore

  公开号：US20050272668A1

  公开（公告）日：2005-12-08

  The disclosed invention includes pharmaceutical compositions and methods for treating inflammatory conditions, particularly those that are characterized by increased binding of alpha-9 integrin to one or more of its ligands. Also disclosed are methods for selecting compounds for use in such compositions and methods.

  所公开的发明包括治疗炎症的药物组合物和方法，特别是那些以α-9整合素与其一种或多种配体的结合增加为特征的炎症。还公开了选择用于此类组合物和方法的化合物的方法。
• ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF
  申请人：ATHENA NEUROSCIENCES, INC.

  公开号：EP0954519B1

  公开（公告）日：2003-04-02
• US6939855B2
  申请人：——

  公开号：US6939855B2

  公开（公告）日：2005-09-06
• US7320960B2
  申请人：——

  公开号：US7320960B2

  公开（公告）日：2008-01-22