TRDIYETDYYRK

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: TRDIYETDYYRK
• 英文别名: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1,3-dihydroxybutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]hexanoic acid
• 化学式: C₇₂H₁₀₇N₁₉O₂₄
• 分子量: 1622.75
• InChiKey: GRVRFEYGHPJNDJ-NADIXBDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.4
• 重原子数：
  115
• 可旋转键数：
  54
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  746
• 氢给体数：
  28
• 氢受体数：
  28

反应信息

• 作为产物：
  描述：

  TRDIpYETDYYRK 在 乙二胺四乙酸 1,4-二巯基-2,3-丁二醇 作用下， 生成 TRDIYETDYYRK
  参考文献：
  名称：

  5-Arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases

  摘要：

  4-(5-Arylidene-2,4-dioxothiszolidin-3-yl)methylbenzoic acids (2) were synthesized and evaluated in vitro as inhibitors of PTP1B and LMW-PTP, two protein tyrosine phosphatases (PTPs) which act as negative regulators of the metabolic and mitotic signalling of insulin. The synthesis of compounds 2 represents an example of utilizing phosphotyrosine-mimetics to identify effective low molecular weight nonphosphorus inhibitors of PTPs. several thiazolidinediones 2 exhibited PTP1 B inhibitory activity in the low micromolar range with moderate selectivity for human PTP1B and IF1 isoform of human LMW-PTP compared with other related PTPs. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.05.027

文献信息

• 5-Arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases
  作者：Rosanna Maccari、Paolo Paoli、Rosaria Ottanà、Michela Jacomelli、Rosella Ciurleo、Giampaolo Manao、Theodora Steindl、Thierry Langer、Maria Gabriella Vigorita、Guido Camici

  DOI：10.1016/j.bmc.2007.05.027

  日期：2007.8

  4-(5-Arylidene-2,4-dioxothiszolidin-3-yl)methylbenzoic acids (2) were synthesized and evaluated in vitro as inhibitors of PTP1B and LMW-PTP, two protein tyrosine phosphatases (PTPs) which act as negative regulators of the metabolic and mitotic signalling of insulin. The synthesis of compounds 2 represents an example of utilizing phosphotyrosine-mimetics to identify effective low molecular weight nonphosphorus inhibitors of PTPs. several thiazolidinediones 2 exhibited PTP1 B inhibitory activity in the low micromolar range with moderate selectivity for human PTP1B and IF1 isoform of human LMW-PTP compared with other related PTPs. (c) 2007 Elsevier Ltd. All rights reserved.