((1R,2R,3S)-2-hydroxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-cyclohexyl)-3-deoxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-1-thio-β-D-galactopyranoside | 1253373-86-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ((1R,2R,3S)-2-hydroxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-cyclohexyl)-3-deoxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-1-thio-β-D-galactopyranoside
• 英文别名: ((1R,2R,3S)-2-hydroxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-cyclohexyl) 3-deoxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-1-thio-beta-D-galactopyranoside；(2S,3R,4S,5R,6R)-4-[4-(2-fluorophenyl)triazol-1-yl]-2-[(1R,2R,3S)-3-[4-(2-fluorophenyl)triazol-1-yl]-2-hydroxycyclohexyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
• CAS: 1253373-86-2
• 化学式: C₂₈H₃₀F₂N₆O₅S
• 分子量: 600.646
• InChiKey: BJVVNEYHVCHMBX-YIQAVPGSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  ((1R,2R,3S)-2-acetoxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)cyclohexyl) 2,4,6-tri-O-acetyl-3-deoxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-1-thio-β-D-galactopyranoside 以 sodium methylate 为溶剂， 反应 21.0h， 以The reaction yielded 55% of 15的产率得到((1R,2R,3S)-2-hydroxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-cyclohexyl)-3-deoxy-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)-1-thio-β-D-galactopyranoside
  参考文献：
  名称：

  Galactoside inhibitors of galectins

  摘要：

  具有影响如galectin抑制剂的化合物，用于作为药物的使用，以及用于制造治疗哺乳动物中与galectin与受体结合有关的疾病的药物，其中galectin最好是galectin-3。新型化合物由一般式定义：

  公开号：

  US08703720B2

文献信息

• [EN] NOVEL GALACTOSIDE INHIBITORS OF GALECTINS<br/>[FR] NOUVEAUX INHIBITEURS GALACTOSIDES DE GALECTINES
  申请人：FORSKARPATENT I SYD AB

  公开号：WO2010126435A1

  公开（公告）日：2010-11-04

  The present invention relates to novel compounds having an effect as i.a. galectin inhibitors, to the use of said compounds as a medicament as well as for the manufacture of a medicament for treatment of disorders relating to the binding of galectin to receptors in a mammal, where in said galectin is preferably a galectin-3. The novel compounds are defined by the general formula: (I)

  本发明涉及一种新型化合物，其具有作为i.a.半乳糖凝集素抑制剂的效果，以及将该化合物用作药物以及用于制造治疗与哺乳动物中半乳糖凝集素与受体结合有关的疾病的药物，其中所述半乳糖凝集素优选为半乳糖凝集素-3。这些新型化合物由一般公式(I)定义。
• NOVEL GALACTOSIDE INHIBITORS OF GALECTINS
  申请人：Leffler Hakon

  公开号：US20120165277A1

  公开（公告）日：2012-06-28

  Compounds having an effect as i.a. galectin inhibitors, to the use of said compounds as a medicament, as well as for the manufacture of a medicament for treatment of disorders relating to the binding of galectin to receptors in a mammal, where in the galectin is preferably a galectin-3. The novel compounds are defined by the general formula:

  具有诸如半乳糖凝集素抑制剂等效应的化合物，用作药物的使用，以及用于制造用于治疗哺乳动物中与半乳糖凝集素与受体结合相关的疾病的药物，其中半乳糖凝集素首选为半乳糖凝集素-3。该新型化合物由通式定义：
• Methods, compositions and kits for treating, modulating, or preventing ocular angiogenesis or fibrosis in a subject using a galectin protein inhibitor
  申请人：TUFTS UNIVERSITY

  公开号：US20150320782A1

  公开（公告）日：2015-11-12

  Methods and kits using a pharmaceutical composition for use in inhibiting ocular angiogenesis or fibrosis are provided herein, such that composition includes a pharmaceutically suitable carrier or diluent and an amount of the inhibitor composition effective to inhibit the angiogenesis or the fibrosis by inhibiting expression and/or activity of a galectin protein or a portion thereof.
• GALACTOSIDE INHIBITORS FOR NEW USES
  申请人：GALECTO BIOTECH AB

  公开号：US20170095496A1

  公开（公告）日：2017-04-06

  Provided is a method for treatment or prevention of α-synucleinopathies in a mammalian subject, the method comprising administering a therapeutically effective amount of at least one composition to the subject, wherein the composition comprises a molecule for pharmacological modulation of galectin activity in a mammalian brain.
• US8703720B2
  申请人：——

  公开号：US8703720B2

  公开（公告）日：2014-04-22