(2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-yl)methanol
CAS No.:
1000413-85-3
M. Wt:
348.45600
M. Fa:
C19H24O4S
InChI Key:
ROZUFBZGOOVXCF-UHFFFAOYSA-N
Appearance:
White To Light Yellow Solid
Names and Identifiers of 1000413-85-3
CAS Number |
1000413-85-3 |
|---|---|
MDL Number |
MFCD22124594 |
IUPAC Name |
[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methanol |
InChI |
InChI=1S/C19H24O4S/c1-14-10-18(23-8-5-9-24(3,21)22)11-15(2)19(14)17-7-4-6-16(12-17)13-20/h4,6-7,10-12,20H,5,8-9,13H2,1-3H3 |
InChIKey |
ROZUFBZGOOVXCF-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=CC(=C1C2=CC=CC(=C2)CO)C)OCCCS(=O)(=O)C |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000413-85-3
Acidity coefficient |
14.32±0.10(Predicted) |
|---|---|
Boiling Point |
559.9±50.0 °C(Predicted) |
Density |
1.178±0.06 g/cm3(Predicted) |
Exact Mass |
348.14000 |
LogP |
4.35700 |
Molecular Formula |
C19H24O4S |
Molecular Weight |
348.45600 |
PSA |
71.98000 |
Safety Information of 1000413-85-3
Applications of 1000413-85-3
(2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-yl)methanol has potential applications in:
- Pharmaceutical Development: As a lead compound for designing new drugs targeting metabolic disorders.
- Research Tools: Useful in studying receptor interactions and cellular signaling pathways.
- Chemical Probes: Can serve as a scaffold for developing novel therapeutic agents.
Interaction Studies of 1000413-85-3
Interaction studies involving (2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-yl)methanol focus on its binding affinity and efficacy against various biological targets. These studies typically utilize techniques such as:
- Molecular Docking: To predict how well the compound binds to specific receptors.
- Cell-Based Assays: To evaluate the biological effects of the compound on cell viability, proliferation, and apoptosis.
Such studies are crucial for understanding the pharmacodynamics and pharmacokinetics of the compound.
Biological Activity of 1000413-85-3
Preliminary studies indicate that compounds similar to (2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-yl)methanol exhibit various biological activities, including:
- Antiinflammatory Properties: Some analogs have shown potential in reducing inflammation, possibly through modulation of specific signaling pathways.
- Anticancer Activity: Certain derivatives have been investigated for their ability to inhibit tumor growth in vitro.
- GPR40 Agonism: This compound may interact with G protein-coupled receptors, influencing metabolic pathways relevant to diabetes and obesity.
Physical sample testing spectrum (NMR) of 1000413-85-3
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