4-((S)-(S)-1-Carbamoyl-3-carboxy-propylcarbamoyl)-4-{2-[4-(3-oxo-propenyl)-benzoylamino]-acetylamino}-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: 4-((S)-(S)-1-Carbamoyl-3-carboxy-propylcarbamoyl)-4-{2-[4-(3-oxo-propenyl)-benzoylamino]-acetylamino}-butyric acid
• 英文别名: (4S)-5-amino-4-[[(2S)-4-carboxy-2-[[2-[[4-[(E)-3-oxoprop-1-enyl]benzoyl]amino]acetyl]amino]butanoyl]amino]-5-oxopentanoic acid
• 化学式: C₂₂H₂₆N₄O₉
• 分子量: 490.5
• InChiKey: PZCRMVRCEVPBFJ-POHSLCEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  35
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  222
• 氢给体数：
  6
• 氢受体数：
  9

文献信息

• Inhibition of protein tyrosine phosphatases and SH2 domains by a neutral phosphotyrosine mimetic
  申请人：——

  公开号：US20040009956A1

  公开（公告）日：2004-01-15

  Methods of inhibiting protein tyrosine phosphatases (PTPs) and Src homology 2 domains (SH2) using neutral phosphotyrosine (pY) mimetics (PTP inhibitors) are provided. Neutral pY mimetics, or PTP inhibitors comprising an aldehyde or mono-ketone substituted aryl group are also provided. Substituents on the aryl groups of the PTP inhibitors provide further affinity for particular PTPs. PTP inhibitors comprising a reactive tripeptide substituent are also provided. Methods of using the neutral, reversible inhibitors as probes for studying the physiological functions of PTPs and SH2 domains are also provided. Methods of treating type II diabetes and obesity by administering a neutral pY mimetic that selectively and reversibly binds with PTP1B are also provided.

  提供了一种使用中性磷酸酪氨酸（pY）类似物（PTP抑制剂）抑制蛋白酪氨酸磷酸酶（PTPs）和Src同源2结构域（SH2）的方法。还提供了包含醛或单酮取代芳基基团的中性pY类似物或PTP抑制剂。PTP抑制剂的芳基基团上的取代基还提供了进一步亲和力，用于特定的PTPs。还提供了包含反应性三肽取代基的PTP抑制剂。还提供了使用中性可逆抑制剂作为研究PTPs和SH2结构域的生理功能的探针的方法。还提供了通过给予选择性和可逆地结合PTP1B的中性pY类似物来治疗2型糖尿病和肥胖症的方法。
• [EN] INHIBITION OF PROTEIN TYROSINE PHOSPHATASES AND SH2 DOMAINS BY A NEUTRAL PHOSPHOTYROSINE MIMETIC<br/>[FR] INHIBITION DES PROTEINE-TYROSINE-PHOSPHATASES ET DES DOMAINES SH2 PAR UN MIMETIQUE DE PHOSPHOTYROSINE NEUTRE
  申请人：UNIV OHIO STATE

  公开号：WO2003093498A1

  公开（公告）日：2003-11-13

  Methods of inhibiting protein tyrosine phosphatases (PTPs) and Src homology 2 domains (SH2) using neutral phosphotyrosine (pY) mimetics (PTP inhibitors) are provided. Neutral pY mimetics, or PTP inhibitors comprising an aldehyde or mono-ketone substituted aryl group are also provided. Substituents on the aryl groups of the PTP inhibitors provide further affinity for particular PTPs. PTP inhibitors comprising a reactive tripeptide substituent are also provided. Methods of using the neutral, reversible inhibitors as probes for studying the physiological functions of PTPs and SH2 domains are also provided. Methods of treating type II diabetes and obesity by administering a neutral pY mimetic that selectively and reversibly binds with PTP1B are also provided.