structure of 2-O-(p-Nitrophenyl)-α-D-N-glycolylneuraminic Acid

2-O-(p-Nitrophenyl)-α-D-N-glycolylneuraminic Acid

CAS No.: 1000890-36-7
M. Wt: 446.36300
M. Fa: C17H22N2O12
InChI Key: -

Names and Identifiers of 1000890-36-7

CAS Number

1000890-36-7

IUPAC Name

(2S,4S,5R,6R)-2-(4-nitrophenoxy)-4-oxidanyl-5-(2-oxidanylethanoylamino)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Canonical SMILES

C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-])[C@@H]([C@@H](CO)O)O)NC(=O)CO)O

Physical and chemical properties of 1000890-36-7

Exact Mass

446.11700

Melting Point

148-150°C

Molecular Formula

C17H22N2O12

Molecular Weight

446.36300

PSA

231.83000

Solubility

Methanol, Water

Storage condition

-20°C Freezer

Applications of 1000890-36-7

The compound has potential applications in various fields:

  • Pharmaceuticals: Due to its biological activity, it may serve as a lead compound for developing new drugs targeting infections or oxidative stress-related diseases.
  • Biotechnology: It could be used as a biochemical probe in enzyme studies or metabolic pathway analysis.
  • Agriculture: If shown to possess antimicrobial properties, it could be explored as a natural pesticide or fungicide .

Interaction Studies of 1000890-36-7

Interaction studies are crucial for understanding how this compound affects biological systems:

  • Binding Affinity Studies: Evaluating how well the compound binds to specific enzymes or receptors can provide insights into its mechanism of action.
  • In Vivo Studies: Animal models can help assess the pharmacokinetics and pharmacodynamics of the compound.
  • Molecular Docking Simulations: Computational methods can predict how the compound interacts with target proteins at the molecular level .

Biological Activity of 1000890-36-7

Research indicates that compounds structurally similar to this molecule exhibit significant biological activities, including:

  • Antimicrobial Activity: Some derivatives have shown effectiveness against various bacterial strains.
  • Antioxidant Properties: The presence of hydroxyl groups contributes to free radical scavenging activity.
  • Enzyme Inhibition: This compound may inhibit specific enzymes involved in metabolic pathways, making it a candidate for drug development .