2-[4-(Carboxymethyl)-7-[2-[[6-(ethylamino)-6-oxohexyl]amino]-2-oxoethyl]-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

• 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: 2-[4-(Carboxymethyl)-7-[2-[[6-(ethylamino)-6-oxohexyl]amino]-2-oxoethyl]-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 英文别名: 2-[4-(carboxymethyl)-7-[2-[[6-(ethylamino)-6-oxohexyl]amino]-2-oxoethyl]-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 化学式: C₂₄H₄₆N₆O₇
• 分子量: 530.7
• InChiKey: JZHSWBOFDJTCAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.9
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  166
• 氢给体数：
  5
• 氢受体数：
  11

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