N-[1,3-bis[3-oxo-3-[2-[2-[2-[(1R,2R,4R)-1,2,3,4,6-pentahydroxyhexoxy]ethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[(1R,2R,4R)-1,2,3,4,6-pentahydroxyhexoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propan-2-yl]-12-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-12-oxododecanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-[1,3-bis[3-oxo-3-[2-[2-[2-[(1R,2R,4R)-1,2,3,4,6-pentahydroxyhexoxy]ethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[(1R,2R,4R)-1,2,3,4,6-pentahydroxyhexoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propan-2-yl]-12-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-12-oxododecanamide
• 化学式: C₆₇H₁₂₉N₅O₃₄
• 分子量: 1548.8
• InChiKey: ZGJUVKISNWABHG-GDTSLGHXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.9
• 重原子数：
  106
• 可旋转键数：
  74
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  580
• 氢给体数：
  20
• 氢受体数：
  34

文献信息

• Carbohydrate Conjugates as Delivery Agents for Oligonucleotides
  申请人：ALNYLAM PHARMACEUTICALS, INC.

  公开号：US20150119444A1

  公开（公告）日：2015-04-30

  The present invention provides iRNA agents comprising at least one subunit of the formula (I): wherein: A and B are each independently for each occurrence O, N(R N ) or S; X and Y are each independently for each occurrence H, OH, a hydroxyl protecting group, a phosphate group, a phosphodiester group, an activated phosphate group, an activated phosphite group, a phosphoramidite, a solid support, —P(Z′)(Z″)O-nucleoside, —P(Z′)(Z″)O-oligonucleotide, a lipid, a PEG, a steroid, a lipophile, a polymer, —P(Z′)(Z″)O-Linker-OP(Z′″)(Z″″)O-oligonucleotide, a nucleotide, an oligonucleotide, —P(Z′)(Z″)-formula (I), —P(Z′)(Z″)- or -Linker-R; R is L G , -Linker-L G , or has the structure shown below: L G is independently for each occurrence a carbohydrate, e.g., monosaccharide, disaccharide, trisaccharide, tetrasaccharide, oligosaccharide, polysaccharide; R N is independently for each occurrence H, methyl, ethyl, propyl, isopropyl, butyl, or benzyl; and Z′, Z″, Z′″ and Z″″ are each independently for each occurrence O or S.
• US8828956B2
  申请人：——

  公开号：US8828956B2

  公开（公告）日：2014-09-09
• US9352048B2
  申请人：——

  公开号：US9352048B2

  公开（公告）日：2016-05-31
• US9370582B2
  申请人：——

  公开号：US9370582B2

  公开（公告）日：2016-06-21