(2S)-5-[2-(3-aminopropylamino)-2-oxoethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid | 1250256-58-6

• 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: (2S)-5-[2-(3-aminopropylamino)-2-oxoethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
• CAS: 1250256-58-6
• 化学式: C₂₅H₃₂N₁₀O₆
• 分子量: 568.592
• InChiKey: QABYLCVWAVAXRJ-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5
• 重原子数：
  41
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  255
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  甲氨蝶呤 、 [[(bromoacetyl)amino]propyl]-carbamic acid 1,1-dimethylethyl ester 在 三氟乙酸 作用下， 生成 (2S)-5-[2-(3-aminopropylamino)-2-oxoethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
  参考文献：
  名称：

  Design of riboflavin-presenting PAMAM dendrimers as a new nanoplatform for cancer-targeted delivery

  摘要：

  This communication describes the synthesis and in vitro biological evaluation of novel generation 5 PAMAM dendrimers conjugated with riboflavin as a targeting ligand. Cell-based experiments demonstrated that a dendrimer conjugated with riboflavin is able to undergo cellular binding and uptake in KB cells, and when the dendrimer is also conjugated with methotrexate, the riboflavin dendrimer conjugate can potently inhibit cell growth. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.005

文献信息

• Design of riboflavin-presenting PAMAM dendrimers as a new nanoplatform for cancer-targeted delivery
  作者：Thommey P. Thomas、Seok Ki Choi、Ming-Hsin Li、Alina Kotlyar、James R. Baker

  DOI：10.1016/j.bmcl.2010.07.005

  日期：2010.9

  This communication describes the synthesis and in vitro biological evaluation of novel generation 5 PAMAM dendrimers conjugated with riboflavin as a targeting ligand. Cell-based experiments demonstrated that a dendrimer conjugated with riboflavin is able to undergo cellular binding and uptake in KB cells, and when the dendrimer is also conjugated with methotrexate, the riboflavin dendrimer conjugate can potently inhibit cell growth. (C) 2010 Elsevier Ltd. All rights reserved.