Methyl 2-[[2-[(2-bromoacetyl)amino]acetyl]amino]acetate | 1225813-59-1

• 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: Methyl 2-[[2-[(2-bromoacetyl)amino]acetyl]amino]acetate
• 英文别名: methyl 2-[[2-[(2-bromoacetyl)amino]acetyl]amino]acetate
• CAS: 1225813-59-1
• 化学式: C₇H₁₁BrN₂O₄
• 分子量: 267.079
• InChiKey: QANJEZMLNJBKJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-[[2-[(2-bromoacetyl)amino]acetyl]amino]acetate 、 1,5,9-triazatricyclo[7.3.1.05,13 ]tridecane 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of [12]aneN3–dipeptide conjugates as metal-free DNA nucleases

  摘要：

  In this Letter, a series of macrocyclic polyamine [12]aneN(3)-dipeptide conjugates as a new type of metal-free nucleases were synthesized and fully characterized with H-1 NMR, C-13 NMR, IR, and HR-MS. Results indicate that these conjugates can bind to calf thymus DNA mainly through electrostatic interaction and can cleave the plasmid DNA at 200 mu M ( pH 7.2, 37 degrees C), with an acceleration of 10(6)-fold via hydrolytic pathway. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.075
• 作为产物：
  描述：

  N-tert-butoxycarbonyl glycyl glycine methyl ester 在 碳酸氢钠 、 sodium carbonate 、 乙酰氯 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 Methyl 2-[[2-[(2-bromoacetyl)amino]acetyl]amino]acetate
  参考文献：
  名称：

  Synthesis of [12]aneN3–dipeptide conjugates as metal-free DNA nucleases

  摘要：

  In this Letter, a series of macrocyclic polyamine [12]aneN(3)-dipeptide conjugates as a new type of metal-free nucleases were synthesized and fully characterized with H-1 NMR, C-13 NMR, IR, and HR-MS. Results indicate that these conjugates can bind to calf thymus DNA mainly through electrostatic interaction and can cleave the plasmid DNA at 200 mu M ( pH 7.2, 37 degrees C), with an acceleration of 10(6)-fold via hydrolytic pathway. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.075

文献信息

• Synthesis of [12]aneN3–dipeptide conjugates as metal-free DNA nucleases
  作者：Zhi-Fen Li、Hua-Long Chen、Li-Jun Zhang、Zhong-Lin Lu

  DOI：10.1016/j.bmcl.2012.01.075

  日期：2012.3

  In this Letter, a series of macrocyclic polyamine [12]aneN(3)-dipeptide conjugates as a new type of metal-free nucleases were synthesized and fully characterized with H-1 NMR, C-13 NMR, IR, and HR-MS. Results indicate that these conjugates can bind to calf thymus DNA mainly through electrostatic interaction and can cleave the plasmid DNA at 200 mu M ( pH 7.2, 37 degrees C), with an acceleration of 10(6)-fold via hydrolytic pathway. (C) 2012 Elsevier Ltd. All rights reserved.