(S)-2-((tert-butoxycarbonyl)amino)-6-((4,6-diamino-1,3,5-triazin-2-yl)amino)hexanoic acid | 1354418-23-7

• 英文名称: (S)-2-((tert-butoxycarbonyl)amino)-6-((4,6-diamino-1,3,5-triazin-2-yl)amino)hexanoic acid
• CAS: 1354418-23-7
• 化学式: C₁₄H₂₅N₇O₄
• 分子量: 355.397
• InChiKey: XXENROZOYBOPKE-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  178.37
• 氢给体数：
  5.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (S)-2-((tert-butoxycarbonyl)amino)-6-((4,6-diamino-1,3,5-triazin-2-yl)amino)hexanoic acid 在 水 、 碳酸氢钠 、 三氟乙酸 作用下， 以 水 为溶剂， 反应 1.33h， 生成 (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-((4,6-diamino-1,3,5-triazin-2-yl)amino)hexanoic acid
  参考文献：
  名称：

  Discrete Assembly of Synthetic Peptide–DNA Triplex Structures from Polyvalent Melamine–Thymine Bifacial Recognition

  摘要：

  We have designed a 21-residue alpha-peptide that simultaneously recognizes two decadeoxyoligothymidine (dT(10)) tracts to form triplexes with a peptide DNA strand ratio of 1:2. The synthetic peptide side chain displays 10 melamine rings, which provide a bifacial thymine-recognition interface along the length of the 21-residue peptide. Recognition is selective for thymine over other nucleobases and drives the formation of ternary peptide center dot[dT(10)](2) complexes as well as heterodimeric peptide center dot[dT(10)C(10)T(10)] hairpin structures with triplex stems.

  DOI：

  10.1021/ja2099326
• 作为产物：
  描述：

  2-氯-4,6-二氨基-1,3,5-三嗪 、 N-alpha-叔丁氧羰基-L-赖氨酸 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 以95%的产率得到(S)-2-((tert-butoxycarbonyl)amino)-6-((4,6-diamino-1,3,5-triazin-2-yl)amino)hexanoic acid
  参考文献：
  名称：

  Discrete Assembly of Synthetic Peptide–DNA Triplex Structures from Polyvalent Melamine–Thymine Bifacial Recognition

  摘要：

  We have designed a 21-residue alpha-peptide that simultaneously recognizes two decadeoxyoligothymidine (dT(10)) tracts to form triplexes with a peptide DNA strand ratio of 1:2. The synthetic peptide side chain displays 10 melamine rings, which provide a bifacial thymine-recognition interface along the length of the 21-residue peptide. Recognition is selective for thymine over other nucleobases and drives the formation of ternary peptide center dot[dT(10)](2) complexes as well as heterodimeric peptide center dot[dT(10)C(10)T(10)] hairpin structures with triplex stems.

  DOI：

  10.1021/ja2099326