3-(3,5-difluorophenoxy)-4-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]cyclobut-3-ene-1,2-dione | 1338582-73-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3,5-difluorophenoxy)-4-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]cyclobut-3-ene-1,2-dione
• CAS: 1338582-73-2
• 化学式: C₅₂H₇₃F₂NO₃₇
• 分子量: 1342.13
• InChiKey: SDWRPHHUVMOSMZ-FLLGRZHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.9
• 重原子数：
  92
• 可旋转键数：
  11
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  589
• 氢给体数：
  21
• 氢受体数：
  40

反应信息

• 作为产物：
  描述：

  、 单-6-O-氨基-Β-环糊精 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 2.0h， 以64%的产率得到3-(3,5-difluorophenoxy)-4-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]cyclobut-3-ene-1,2-dione
  参考文献：
  名称：

  Modification of Proteins with Cyclodextrins Prevents Aggregation and Surface Adsorption and Increases Thermal Stability

  摘要：

  This work describes a general approach for preventing protein aggregation and surface adsorption by modifying proteins with beta-cyclodextrins (beta CD) via an efficient water-driven ligation. As compared to native unmodified proteins, the cyclodextrin-modified proteins (lysozyme and RNase A) exhibit significant reduction in aggregation, surface adsorption and increase in thermal stability. These results reveal a new chemistry for preventing protein aggregation and surface adsorption that is likely of different mechanisms than that by modifying proteins with poly(ethylene glycol).

  DOI：

  10.1021/la203271u

文献信息

• Modification of Proteins with Cyclodextrins Prevents Aggregation and Surface Adsorption and Increases Thermal Stability
  作者：Deepali Prashar、DaWei Cui、Debjyoti Bandyopadhyay、Yan-Yeung Luk

  DOI：10.1021/la203271u

  日期：2011.11.1

  This work describes a general approach for preventing protein aggregation and surface adsorption by modifying proteins with beta-cyclodextrins (beta CD) via an efficient water-driven ligation. As compared to native unmodified proteins, the cyclodextrin-modified proteins (lysozyme and RNase A) exhibit significant reduction in aggregation, surface adsorption and increase in thermal stability. These results reveal a new chemistry for preventing protein aggregation and surface adsorption that is likely of different mechanisms than that by modifying proteins with poly(ethylene glycol).