2-[4,10-bis(carboxymethyl)-7-[2-[[(2S,3S,4S,5R)-6-[[5,6-dihydroxy-2-(4-hydroxyphenoxy)-4-oxo-4a,8a-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carbonyl]amino]ethylcarbamoyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[4,10-bis(carboxymethyl)-7-[2-[[(2S,3S,4S,5R)-6-[[5,6-dihydroxy-2-(4-hydroxyphenoxy)-4-oxo-4a,8a-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carbonyl]amino]ethylcarbamoyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 化学式: C₃₈H₅₀N₆O₁₉
• 分子量: 894.8
• InChiKey: YBMOAGDQCYCTGC-MTZJBZNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10
• 重原子数：
  63
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  358
• 氢给体数：
  11
• 氢受体数：
  22

文献信息

• COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS
  申请人：Tworowska Izabela

  公开号：US20140228551A1

  公开（公告）日：2014-08-14

  The invention provides D02S derivatives conjugated to monosaccharide ligands directly or through a linker and optionally chelated to a metal, wherein the D02S derivatives having the following structure: wherein R 1 ′, R 2 ′ are each independently —OH or —O-alkyl; R 1 is a hydrogen, a linker, or a ligand; R 3 is a linker and/or a ligand; and n is an integer from 1 to 10; the linker is an amino acid, a peptide, an amino alcohol, a polyethylylene glycol, an alkyl, an alkenyl, an alkynyl, an azide, an aromatic compound, a carboxylic acid, or an ester, the alkyl, alkenyl, or alkynyl is optionally substituted with an alkyl, a halogen, a nitro group, a hydroxyl group, an amino group, or a carboxyl group; the ligand is a GLUT1 targeting moiety.
• US9550001B2
  申请人：——

  公开号：US9550001B2

  公开（公告）日：2017-01-24