(2R,3R,4S,5S,6S)-5-Amino-3,4-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid | 61329-84-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5S,6S)-5-Amino-3,4-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid
• 英文别名: 5-Amino-2,6-anhydro-5-deoxy-d-glycero-d-gulo-heptonic acid；(2R,3R,4S,5S,6S)-5-amino-3,4-dihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acid
• CAS: 61329-84-8
• 化学式: C₇H₁₃NO₆
• 分子量: 207.183
• InChiKey: NURIZKIFSPYMOI-VFUOTHLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  133
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• Compounds, linker-drugs and ligand-drug conjugates
  申请人：Industrial Technology Research Institute

  公开号：US10233212B2

  公开（公告）日：2019-03-19

  A compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof is provided. In formula (I), R1, R2 and R3 are each, independently, hydrogen, amino, nitro, halogen, hydroxyl, C1-C6 alkoxy, carboxylic acid, C1-C6 alkoxycarbonyl, C1-C6 amino, C1-C6 aminocarbonyl, C1-C6 alkyl, branched C1-C6 alkyl, C1-C6 cycloalkyl, C1-C6 heterocyclic, aryl or heteroaryl, provided at least one of R1 and R3 is an amino group. A linker-drug and a ligand-drug conjugate including the compound are also provided.

  本发明提供了式 (I) 的化合物或其药学上可接受的盐或溶液。在式 (I) 中，R1、R2 和 R3 各自独立地为氢、氨基、硝基、卤素、羟基、C1-C6 烷氧基、羧酸、C1-C6 烷氧羰基、C1-C6 氨基、C1-C6 氨基羰基、C1-C6 烷基、支链 C1-C6 烷基、C1-C6 环烷基、C1-C6 杂环基、芳基或杂芳基，条件是 R1 和 R3 中至少有一个是氨基。还提供了包括该化合物的连接体-药物和配体-药物共轭物。
• COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES
  申请人：Industrial Technology Research Institute

  公开号：US20180016300A1

  公开（公告）日：2018-01-18

  A compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof is provided. In formula (I), R1, R2 and R3 are each, independently, hydrogen, amino, nitro, halogen, hydroxyl, C1-C6 alkoxy, carboxylic acid, C1-C6 alkoxycarbonyl, C1-C6 amino, C1-C6 aminocarbonyl, C1-C6 alkyl, branched C1-C6 alkyl, C1-C6 cycloalkyl, C1-C6 heterocyclic, aryl or heteroaryl, provided at least one of R1 and R3 is an amino group. A linker-drug and a ligand-drug conjugate including the compound are also provided.