N6-(2-(7-amino-4-methyl-2-oxo-6-sulfo-2H-chromen-3-yl)acetyl)-N2-(tert-butoxycarbonyl)-L-lysyl-L-serine | 1031842-76-8

• 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: N6-(2-(7-amino-4-methyl-2-oxo-6-sulfo-2H-chromen-3-yl)acetyl)-N2-(tert-butoxycarbonyl)-L-lysyl-L-serine
• CAS: 1031842-76-8
• 化学式: C₂₆H₃₆N₄O₁₂S
• 分子量: 628.657
• InChiKey: MOSREQXUPJJJFT-ROUUACIJSA-N

物化性质

• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  43.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  264.66
• 氢给体数：
  7.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  N6-(2-(7-amino-4-methyl-2-oxo-6-sulfo-2H-chromen-3-yl)acetyl)-N2-(tert-butoxycarbonyl)-L-lysyl-L-serine 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (2S)-2-[[(2S)-2-amino-6-[[2-(7-amino-4-methyl-2-oxo-6-sulfochromen-3-yl)acetyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
  参考文献：
  名称：

  Design of high-affinity peptide conjugates with optimized fluorescence quantum yield as markers for small peptide transporter PEPT1 (SLC15A1)

  摘要：

  We employed a computational approach to design and synthesize a series of. fluorescently labeled hPEPT1 substrates. Five Alexa Fluor-350 (TM)-labeled peptides were assessed for their in vitro inhibitory activity in hPEPT1-transfected CHO cells. At least four labeled peptides show potent inhibitory activity toward hPEPT1-mediated uptake of [H-3]-GlySar and three compounds displayed a significant cellular uptake specifically mediated by hPEPT1. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.044
• 作为产物：
  描述：

  (2S)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-hydroxypropanoic acid 、 7-amino-4-methyl-6-sulfocoumarin-3-acetic acid succinimidyl ester 在 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 N6-(2-(7-amino-4-methyl-2-oxo-6-sulfo-2H-chromen-3-yl)acetyl)-N2-(tert-butoxycarbonyl)-L-lysyl-L-serine
  参考文献：
  名称：

  Design of high-affinity peptide conjugates with optimized fluorescence quantum yield as markers for small peptide transporter PEPT1 (SLC15A1)

  摘要：

  We employed a computational approach to design and synthesize a series of. fluorescently labeled hPEPT1 substrates. Five Alexa Fluor-350 (TM)-labeled peptides were assessed for their in vitro inhibitory activity in hPEPT1-transfected CHO cells. At least four labeled peptides show potent inhibitory activity toward hPEPT1-mediated uptake of [H-3]-GlySar and three compounds displayed a significant cellular uptake specifically mediated by hPEPT1. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.044