3-(3-sulfo-β-D-galactopyranosylthio)propionic acid | 681481-19-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-sulfo-β-D-galactopyranosylthio)propionic acid
• 英文别名: 3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]sulfanylpropanoic acid
• CAS: 681481-19-6
• 化学式: C₉H₁₆O₁₀S₂
• 分子量: 348.352
• InChiKey: XPAQRQQFIGWOFB-WTZHZCGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  205
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  3-(((3aS,4R,6S,7R,7aR)-2,2-dibutyl-7-hydroxy-4-(hydroxymethyl)tetrahydro-4H-[1,3,2]dioxastannolo[4,5-c]pyran-6-yl)thio)propanoic acid 在 三甲基铵三氧化硫共聚物 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 30.0h， 以70%的产率得到3-(3-sulfo-β-D-galactopyranosylthio)propionic acid
  参考文献：
  名称：

  Use of multivalent glycodendrimers to inhibit the activity of human immunodeficiency virus

  摘要：

  本发明涉及用于抑制配体和受体相互作用的组合物和方法。具体而言，提供了用于抑制病毒（特别是HIV）与受体之间相互作用的组合物和方法。抑制此类配体/受体相互作用有助于抑制细胞感染病毒。此外，配体/受体相互作用的抑制剂可作为体外或体内抑制测定的标准。在一个特定实施例中，根据本发明的组合物包括具有以下结构的化合物：[(X)—(Y)] p -Z，其中X为1，Q1和Q2分别独立地为H、与Y的键或与Z的键，其中Q1或Q2中至少有一个是与Y的键或与Z的键；R1、R4、R6和R8各自为H；R2、R3和R5各自独立地为OH、OSO3D或OPO3D，R7为CH20H、CH2OSO3D或CH2OPO3D；D为H或从以下群组中选择的阳离子：碱金属阳离子、碱土金属阳离子、铵阳离子、季铵阳离子和胺阳离子；其中R2、R3、R5和R7中至少有一个是含硫或磷酸酯基团；Y为可选的连接剂，Z为多价支持体，p为在1-2000范围内的整数。

  公开号：

  US20040180852A1

文献信息

• [EN] USE OF MULTIVALENT GLYCODENDRIMERS TO INHIBIT THE ACTIVITY OF HUMAN IMMUNODEFICIENCY VIRUS<br/>[FR] UTILISATION DE GLYCODENDRIMERES POLYVALENTS POUR INHIBER L'ACTIVITE DU VIRUS DE L'IMMUNODEFICIENCE HUMAINE
  申请人：PENN STATE RES FOUND

  公开号：WO2004080409A2

  公开（公告）日：2004-09-23

  The present invention relates to compositions and methods for inhibiting the interaction of a ligand and receptor, In particular, compositions are methods are provided for inhibition of interaction between a virus, especially HIV, and a receptor. Inhibition of such ligand/receptor interaction is advantageous in inhibiting infection of a cell with a virus. Further, an inhibitor of ligand/receptor interaction serves as a standard in assays of inhibition in vitro or in vivo. In a particular embodiment, a composition according to the invention includes a compound having the formula: [(X) - (Y)] p - Z where X is (Formula 1) and where Q1 and Q2 are each independently H, a bond to Y, or a bond to Z, where at least one of Q1 or Q2 is a bond to Y or a bond to Z; where R1, R4, R6 and R8 are each H; R2, R3, and R5 are each independently OH, OS03D, or OP03D, and R7 is CH20H, CH20SO3D or CH20PO3D; where D is H or a cation selected from the group consisting of: alkali metal cations, alkaline earth metal cations, ammonium cations, quaternary ammonium cations and amine cations; and where at least one of R2, R3, R5 and R7 is a sulfur or phosphate containing group; where Y is an optional linker, Z is a multivalent support, and p is an integer in the range of 1-2000 inclusive,
• Use of multivalent glycodendrimers to inhibit the activity of human immunodeficiency virus
  申请人：——

  公开号：US20040180852A1

  公开（公告）日：2004-09-16

  The present invention relates to compositions and methods for inhibiting the interaction of a ligand and receptor. In particular, compositions are methods are provided for inhibition of interaction between a virus, especially HIV, and a receptor. Inhibition of such ligand/receptor interaction is advantageous in inhibiting infection of a cell with a virus. Further, an inhibitor of ligand/receptor interaction serves as a standard in assays of inhibition in vitro or in vivo. In a particular embodiment, a composition according to the invention includes a compound having the formula: [(X)—(Y)] p -Z where X is 1 and where Q1 and Q2 are each independently H, a bond to Y, or a bond to Z, where at least one of Q1 or Q2 is a bond to Y or a bond to Z; where R1, R4, R6 and R8 are each H; R2, R3, and R5 are each independently OH, OSO3D, or OPO3D, and R7 is CH20H, CH2OSO3D or CH2OPO3D; where D is H or a cation selected from the group consisting of: alkali metal cations, alkaline earth metal cations, ammonium cations, quaternary ammonium cations and amine cations; and where at least one of R2, R3, R5 and R7 is a sulfur or phosphate containing group; where Y is an optional linker, Z is a multivalent support, and p is an integer in the range of 1-2000 inclusive.

  本发明涉及用于抑制配体和受体相互作用的组合物和方法。具体而言，提供了用于抑制病毒（特别是HIV）与受体之间相互作用的组合物和方法。抑制此类配体/受体相互作用有助于抑制细胞感染病毒。此外，配体/受体相互作用的抑制剂可作为体外或体内抑制测定的标准。在一个特定实施例中，根据本发明的组合物包括具有以下结构的化合物：[(X)—(Y)] p -Z，其中X为1，Q1和Q2分别独立地为H、与Y的键或与Z的键，其中Q1或Q2中至少有一个是与Y的键或与Z的键；R1、R4、R6和R8各自为H；R2、R3和R5各自独立地为OH、OSO3D或OPO3D，R7为CH20H、CH2OSO3D或CH2OPO3D；D为H或从以下群组中选择的阳离子：碱金属阳离子、碱土金属阳离子、铵阳离子、季铵阳离子和胺阳离子；其中R2、R3、R5和R7中至少有一个是含硫或磷酸酯基团；Y为可选的连接剂，Z为多价支持体，p为在1-2000范围内的整数。