(3S)-3-(1,3-benzodioxol-5-yl)-3-({2-[2-oxo-3-(phenylmethyl)-3,4-dihydro-1(2H)-quinazolinyl]hexanoyl}amino)propanoic acid | 307523-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (3S)-3-(1,3-benzodioxol-5-yl)-3-({2-[2-oxo-3-(phenylmethyl)-3,4-dihydro-1(2H)-quinazolinyl]hexanoyl}amino)propanoic acid
• 英文别名: (3S)-3-(1,3-benzodioxol-5-yl)-3-[2-(3-benzyl-2-oxo-4H-quinazolin-1-yl)hexanoylamino]propanoic acid
• CAS: 307523-66-6
• 化学式: C₃₁H₃₃N₃O₆
• 分子量: 543.62
• InChiKey: QILMCDPTAHFODZ-QSAPEBAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Propanoic acid derivatives that inhibit the binding of integrins to their receptors
  申请人：ENCYSIVE PHARMACEUTICALS, INC

  公开号：EP1213288B1

  公开（公告）日：2009-01-14
• EP1189881A4
  申请人：——

  公开号：EP1189881A4

  公开（公告）日：2002-11-27
• PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS
  申请人：TEXAS BIOTECHNOLOGY CORPORATION

  公开号：EP1189881A1

  公开（公告）日：2002-03-27
• US6723711B2
  申请人：——

  公开号：US6723711B2

  公开（公告）日：2004-04-20
• [EN] PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS<br/>[FR] DERIVES DE L'ACIDE PROPANOIQUE INHIBANT LA LIAISON DES INTEGRINES A LEURS RECEPTEURS
  申请人：TEXAS BIOTECHNOLOGY CORP

  公开号：WO2000068188A1

  公开（公告）日：2000-11-16

  A method for the inhibition of the binding of α4β1 integrin to its receptors, for example VCAM-1 (vascular cell adhesion molecule-1) and fibronectin; compounds that inhibit this binding; pharmaceutically active compositions comprising such compounds; and the use of such compounds either as above, or in formulations for the control or prevention of diseases states in which α4β1 is involved.