structure of 4-benzyl-N'-hydroxymorpholine-2-carboximidamide

4-benzyl-N'-hydroxymorpholine-2-carboximidamide

CAS No.: 1000349-55-2
M. Wt: 235.28200
M. Fa: C12H17N3O2
InChI Key: WXNVXEDYZMJYOG-UHFFFAOYSA-N

Names and Identifiers of 1000349-55-2

CAS Number

1000349-55-2

MDL Number

MFCD11052134

IUPAC Name

4-benzyl-N'-hydroxymorpholine-2-carboximidamide

InChI

InChI=1S/C12H17N3O2/c13-12(14-16)11-9-15(6-7-17-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,13,14)

InChIKey

WXNVXEDYZMJYOG-UHFFFAOYSA-N

Canonical SMILES

C1COC(CN1CC2=CC=CC=C2)C(=NO)N

Isomeric SMILES

C1COC(CN1CC2=CC=CC=C2)/C(=N/O)/N

UNSPSC Code

12352100

Physical and chemical properties of 1000349-55-2

Exact Mass

235.13200

LogP

1.27200

Molecular Formula

C12H17N3O2

Molecular Weight

235.28200

PSA

68.58000

Safety Information of 1000349-55-2

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000349-55-2

4-benzyl-N'-hydroxymorpholine-2-carboximidamide has several potential applications:

  • Pharmaceutical Development: Its unique structure makes it a candidate for drug development targeting various diseases.
  • Chemical Probes: It can serve as a chemical probe in biological research to study enzyme functions or metabolic pathways.
  • Synthetic Intermediates: This compound may act as an intermediate in synthesizing more complex molecules with pharmaceutical relevance.

Interaction Studies of 1000349-55-2

Research into the interactions of 4-benzyl-N'-hydroxymorpholine-2-carboximidamide with biological macromolecules (such as proteins or nucleic acids) is crucial for understanding its mechanism of action. Preliminary studies may include:

  • Binding Affinity Assessments: Evaluating how strongly the compound binds to specific targets.
  • Inhibition Studies: Testing its ability to inhibit enzyme activity or receptor interactions.
  • Cellular Assays: Investigating its effects on cell viability and proliferation in various cancer cell lines.

These studies will help determine the therapeutic viability of this compound.

Biological Activity of 1000349-55-2

4-benzyl-N'-hydroxymorpholine-2-carboximidamide has shown promising biological activities in preliminary studies. Its structural features suggest potential:

  • Antimicrobial Activity: Compounds with similar structures often exhibit antibacterial or antifungal properties.
  • Anticancer Properties: The presence of nitrogen-containing functional groups is common in many anticancer agents, indicating potential for further exploration in cancer treatment.
  • Enzyme Inhibition: The compound may act as an inhibitor for specific enzymes involved in metabolic pathways, which could be beneficial in treating various diseases.