(R)-4-{[Isopropyl-(4-methoxy-phenyl)-carbamoylmethyl]-phenyl-carbamoyl}-4-(3-phenyl-ureido)-butyric 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: (R)-4-{[Isopropyl-(4-methoxy-phenyl)-carbamoylmethyl]-phenyl-carbamoyl}-4-(3-phenyl-ureido)-butyric acid
• 英文别名: (4R)-5-(N-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]anilino)-5-oxo-4-(phenylcarbamoylamino)pentanoic acid
• 化学式: C₃₀H₃₄N₄O₆
• 分子量: 546.623
• InChiKey: AJNASFIBGRDDNH-AREMUKBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  BOC-D-谷氨酸5-叔丁酯 在 盐酸 、 4-二甲氨基吡啶 、 sodium hydride 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (R)-4-{[Isopropyl-(4-methoxy-phenyl)-carbamoylmethyl]-phenyl-carbamoyl}-4-(3-phenyl-ureido)-butyric acid
  参考文献：
  名称：

  Conversion of acyclic nonpeptide CCK antagonists into CCK agonists

  摘要：

  The CCK antagonists RP 69758 and (R)-lorglumide were converted into CCK agonists by the introduction of an N-isopropylanilide agonist ''trigger.'' The common structural features of these ligands suggest that nonpeptide agonists and antagonists bind to a common site in the CCK receptor. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00062-0

文献信息

• US6096885A
  申请人：——

  公开号：US6096885A

  公开（公告）日：2000-08-01
• Conversion of acyclic nonpeptide CCK antagonists into CCK agonists
  作者：Gavin C. Hirst、Kennedy L. Queen、Elizabeth F. Sugg、Timothy M. Willson

  DOI：10.1016/s0960-894x(97)00062-0

  日期：1997.3

  The CCK antagonists RP 69758 and (R)-lorglumide were converted into CCK agonists by the introduction of an N-isopropylanilide agonist ''trigger.'' The common structural features of these ligands suggest that nonpeptide agonists and antagonists bind to a common site in the CCK receptor. (C) 1997 Elsevier Science Ltd.