tri-t-butyl 10-[3-(glycylamino)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate | 848761-23-9

• 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: tri-t-butyl 10-[3-(glycylamino)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
• CAS: 848761-23-9
• 化学式: C₂₈H₅₄N₆O₇
• 分子量: 586.773
• InChiKey: QJKHUHHKQIGXRH-UHFFFAOYSA-N

物化性质

• 沸点：
  690.9±55.0 °C(Predicted)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  41.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  146.98
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  tri-t-butyl 10-[3-(glycylamino)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Peptide-cleaving agents for human islet amyloid polypeptide containing substrate recognition site based on quinoxaline: Cleavage efficiency enhanced by lowering substrate concentration

  摘要：

  Oligomers of human islet amyloid polypeptide (h-IAPP) are believed to be the pathogenic species for type 2 diabetes mellitus. Peptide-cleaving agents selective for oligomers of h-IAPP were synthesized by using quinoxaline derivatives as recognition sites attached to the Co(III) complex of cyclen in this study. When the initial concentration of h-IAPP was lowered from 4.0 to 0.20 mu M, cleavage yield of the new agents was enhanced by 3 times reaching 16-22 mol %. This shows that the agents would have significant activities at subnano molar concentrations if the concentration of h-IAPP is lowered to the in vivo values. This further indicates that the peptide-cleaving agents prepared previously in this laboratory possess sufficiently high activity for application as a new therapeutic option for Alzheimer's disease, type 2 diabetes mellitus, and Parkinson's disease. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.008
• 作为产物：
  描述：

  1-(N-benzyloxycarbonyl-aminopropyl)-4,7,10-tri(t-butoxycarbonyl)-1,4,7,10-tetraazacyclododecane 在 palladium on activated charcoal 氢气 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 49.0h， 生成 tri-t-butyl 10-[3-(glycylamino)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
  参考文献：
  名称：

  Peptide-Cleaving Catalyst Selective for Peptide Deformylase

  摘要：

  A peptide-cleaving catalyst selective for peptide deformylase (PDF) was obtained from a library containing about 15 000 catalyst candidates. The catalyst cleaved the polypeptide backbone of PDF at Gln(152)-Arg(153). Docking simulations suggested multiple modes of interactions in the complex formed between the catalyst and PDF.

  DOI：

  10.1021/ja044043h

文献信息

• Cleavage Agents for Soluble Oligomers of Amyloid β Peptides
  作者：Junghun Suh、Sang Ho Yoo、Min Gyum Kim、Keunhong Jeong、Jae Young Ahn、Myoung-soon Kim、Pil Seok Chae、Tae Yeon Lee、Jaehwa Lee、Jeongkuk Lee、Yun Ah Jang、Eun Hwa Ko

  DOI：10.1002/anie.200702399

  日期：2007.9.17