4-Oxo-4-(3-ureido-phenyl)-butyric acid | 218300-35-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Oxo-4-(3-ureido-phenyl)-butyric acid
• CAS: 218300-35-7
• 化学式: C₁₁H₁₂N₂O₄
• 分子量: 236.227
• InChiKey: XRMKSJNTLRHQCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.22
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  109.49
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-Oxo-4-(3-ureido-phenyl)-butyric acid 在 sodium hydroxide 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Structure-based design of peptidomimetic ligands of the Grb2-SH2 domain

  摘要：

  We have designed and synthesized a (3-aminomethyl-phenyl)-urea scaffold to mimic the X+1-Asn part of the minimal phosphopeptide sequence, Ac-pTyr-X+1-Asn-NH2, recognized by the Grb2-SH2 domain. The resulting compounds show the same degree of affinity as their peptide counterparts for the Grb2-SH2 domain. This is the first example reported to date of ligands of the Grb2-SH2 domain with substantially reduced peptidic character. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00513-7
• 作为产物：
  描述：

  3-(3-硝基苯甲酰基)丙酸 在 镍 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 生成 4-Oxo-4-(3-ureido-phenyl)-butyric acid
  参考文献：
  名称：

  Structure-based design of peptidomimetic ligands of the Grb2-SH2 domain

  摘要：

  We have designed and synthesized a (3-aminomethyl-phenyl)-urea scaffold to mimic the X+1-Asn part of the minimal phosphopeptide sequence, Ac-pTyr-X+1-Asn-NH2, recognized by the Grb2-SH2 domain. The resulting compounds show the same degree of affinity as their peptide counterparts for the Grb2-SH2 domain. This is the first example reported to date of ligands of the Grb2-SH2 domain with substantially reduced peptidic character. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00513-7