1-[3-[[4-Amino-6-[[17-[[4-amino-6-[[2,2-dimethyl-3-(propylcarbamoylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropyl]-3-propylurea | 321898-30-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[3-[[4-Amino-6-[[17-[[4-amino-6-[[2,2-dimethyl-3-(propylcarbamoylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropyl]-3-propylurea
• 英文别名: 1-[3-[[4-amino-6-[[17-[[4-amino-6-[[2,2-dimethyl-3-(propylcarbamoylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropyl]-3-propylurea
• CAS: 321898-30-0
• 化学式: C₆₄H₉₂N₁₆O₆
• 分子量: 1181.54
• InChiKey: BTJOCAYAVZRGCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  86
• 可旋转键数：
  30
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  297
• 氢给体数：
  10
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  5,5-二乙基丙二酰脲 、 1-[3-[[4-Amino-6-[[17-[[4-amino-6-[[2,2-dimethyl-3-(propylcarbamoylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropyl]-3-propylurea 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  Self-Assembly of Polar Functionalities Using Noncovalent Platforms

  摘要：

  [GRAPHICS]Small peptide fragments functionalized with dimelamine units spontaneously form well-defined assemblies. The hydrogen-bond donating and accepting sites in the peptide units are perfectly compatible with the hydrogen-bond assembly motif and slightly stabilize the assembly via additional hydrogen bond formation.

  DOI：

  10.1021/ol000244o
• 作为产物：
  描述：

  bis(chlorotriazine) 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 1-[3-[[4-Amino-6-[[17-[[4-amino-6-[[2,2-dimethyl-3-(propylcarbamoylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropyl]-3-propylurea
  参考文献：
  名称：

  Self-Assembly of Polar Functionalities Using Noncovalent Platforms

  摘要：

  [GRAPHICS]Small peptide fragments functionalized with dimelamine units spontaneously form well-defined assemblies. The hydrogen-bond donating and accepting sites in the peptide units are perfectly compatible with the hydrogen-bond assembly motif and slightly stabilize the assembly via additional hydrogen bond formation.

  DOI：

  10.1021/ol000244o

文献信息

• Self-Assembly of Polar Functionalities Using Noncovalent Platforms
  作者：Jessica M. C. A. Kerckhoffs、Mercedes Crego-Calama、Ingrid Luyten、Peter Timmerman、David N. Reinhoudt

  DOI：10.1021/ol000244o

  日期：2000.12.1

  [GRAPHICS]Small peptide fragments functionalized with dimelamine units spontaneously form well-defined assemblies. The hydrogen-bond donating and accepting sites in the peptide units are perfectly compatible with the hydrogen-bond assembly motif and slightly stabilize the assembly via additional hydrogen bond formation.