Ethyl 4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]butanoate | 155788-19-5

• 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: Ethyl 4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]butanoate
• CAS: 155788-19-5
• 化学式: C₁₁H₁₆N₄O₅
• 分子量: 284.272
• InChiKey: SQSJZIMYHBVGFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]butanoate 在 benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate 、 5% Pd(II)/C(eggshell) 、 水 、 氢气 、 三乙胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 48.5h， 生成
  参考文献：
  名称：

  Synthesis and biophysical studies of hairpin polyamides targeting the Brn-3b and GATA-3 transcriptional sites

  摘要：

  Hairpin polyamide analogs of distamycin A (1) were designed and synthesized to evaluate their ability to bind 5'-ATAGA-3' and 5'-AGATA-3' sequences which are important elements for controlling the function of the Brn-3b and GATA-3 transcriptional factors, respectively. The hairpin polyamides are composed of pyrrole and imidazole units linked together via a.-aminobutyrate (GABA) unit. Hairpins 2b (Py-Py-Im-gamma-Py-Py-Py) and 2c (Im-Py-Py-gamma-Py-Py-Py) were synthesized to target the respective Brn-3b and GATA-3 cognate sequences. Preliminary biophysical studies including thermal denaturation and circular dichroism were performed and the results ascertained the binding of hairpins 2a and 2b to their respective cognate DNA sequences.

  DOI：

  10.1515/hc.2010.002
• 作为产物：
  描述：

  1-甲基-4-硝基-2-(三氟乙酰)-1H-咪唑 、 4-氨基丁酸乙酯.盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 Ethyl 4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]butanoate
  参考文献：
  名称：

  Synthesis and biophysical studies of hairpin polyamides targeting the Brn-3b and GATA-3 transcriptional sites

  摘要：

  Hairpin polyamide analogs of distamycin A (1) were designed and synthesized to evaluate their ability to bind 5'-ATAGA-3' and 5'-AGATA-3' sequences which are important elements for controlling the function of the Brn-3b and GATA-3 transcriptional factors, respectively. The hairpin polyamides are composed of pyrrole and imidazole units linked together via a.-aminobutyrate (GABA) unit. Hairpins 2b (Py-Py-Im-gamma-Py-Py-Py) and 2c (Im-Py-Py-gamma-Py-Py-Py) were synthesized to target the respective Brn-3b and GATA-3 cognate sequences. Preliminary biophysical studies including thermal denaturation and circular dichroism were performed and the results ascertained the binding of hairpins 2a and 2b to their respective cognate DNA sequences.

  DOI：

  10.1515/hc.2010.002

文献信息

• Synthesis and biophysical studies of hairpin polyamides targeting the Brn-3b and GATA-3 transcriptional sites
  作者：Balaji Babu、Hilary Mackay、Abby Prast、Kristin Dittenhafer、Ryan Davis、Christopher Tronrud、Toni Rice、Sameer Chavda、Moses Lee

  DOI：10.1515/hc.2010.002

  日期：2010.1.1

  Hairpin polyamide analogs of distamycin A (1) were designed and synthesized to evaluate their ability to bind 5'-ATAGA-3' and 5'-AGATA-3' sequences which are important elements for controlling the function of the Brn-3b and GATA-3 transcriptional factors, respectively. The hairpin polyamides are composed of pyrrole and imidazole units linked together via a.-aminobutyrate (GABA) unit. Hairpins 2b (Py-Py-Im-gamma-Py-Py-Py) and 2c (Im-Py-Py-gamma-Py-Py-Py) were synthesized to target the respective Brn-3b and GATA-3 cognate sequences. Preliminary biophysical studies including thermal denaturation and circular dichroism were performed and the results ascertained the binding of hairpins 2a and 2b to their respective cognate DNA sequences.