N-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]-3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[6-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]hexyl]amino]propanamide

• 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: N-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]-3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[6-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]hexyl]amino]propanamide
• 化学式: C₆₆H₁₃₆N₂₆O₁₂
• 分子量: 1485.97
• InChiKey: JFDLZMCHGVUCAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.7
• 重原子数：
  104
• 可旋转键数：
  71
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  577
• 氢给体数：
  20
• 氢受体数：
  26

反应信息

• 作为反应物：
  描述：

  丙烯酸甲酯（MA） 、 N-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]-3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[6-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]hexyl]amino]propanamide 以 甲醇 为溶剂， 反应 24.0h， 以24%的产率得到
  参考文献：
  名称：

  摘要：

  Neoglycoconjugates containing 4, 8, 32, and 64 terminal residues of B-disaccharide (B-DI) or N-acetylneuraminic acid (Neu5Ac) attached to poly(aminoamide)-type dendrimers (PAMAMs) were synthesized. The ability of B-DI conjugates to bind natural xenoantibodies (anti-B-DI, antibodies) and the ability of Neu5Ac conjugates to inhibit the hemagglutinin-mediated adhesion of influenza virus were studied. The biological activity of PAMAM conjugates turned out to be higher than that of free carbohydrate ligands, but less than that of multivalent glycoconjugates based on other types of synthetic polymeric carriers. A conformational analysis of PAMAM matrices and resulting conjugates was performed to determine the statistical distances between carbohydrate ligands. The computations revealed the tendency of the PAMAM chains toward compaction and formation of dense globules. The process results in a decrease in the distances between the carbohydrate ligands in the conjugates and, hence, could affect the ability of glycoconjugates to efficiently bind the polyvalent carbohydrate-recognizing proteins.

  DOI：

  10.1023/a:1021293532046
• 作为产物：
  描述：

  乙二胺 、 以 甲醇 为溶剂， 反应 24.0h， 以74%的产率得到N-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]-3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[6-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]hexyl]amino]propanamide
  参考文献：
  名称：

  摘要：

  Neoglycoconjugates containing 4, 8, 32, and 64 terminal residues of B-disaccharide (B-DI) or N-acetylneuraminic acid (Neu5Ac) attached to poly(aminoamide)-type dendrimers (PAMAMs) were synthesized. The ability of B-DI conjugates to bind natural xenoantibodies (anti-B-DI, antibodies) and the ability of Neu5Ac conjugates to inhibit the hemagglutinin-mediated adhesion of influenza virus were studied. The biological activity of PAMAM conjugates turned out to be higher than that of free carbohydrate ligands, but less than that of multivalent glycoconjugates based on other types of synthetic polymeric carriers. A conformational analysis of PAMAM matrices and resulting conjugates was performed to determine the statistical distances between carbohydrate ligands. The computations revealed the tendency of the PAMAM chains toward compaction and formation of dense globules. The process results in a decrease in the distances between the carbohydrate ligands in the conjugates and, hence, could affect the ability of glycoconjugates to efficiently bind the polyvalent carbohydrate-recognizing proteins.

  DOI：

  10.1023/a:1021293532046