(S)-2-((3-(3-Fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide
Names and Identifiers of 1000370-27-3
CAS Number |
1000370-27-3 |
|---|---|
IUPAC Name |
(2S)-2-[[4-[(3-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]phenyl]methylamino]propanamide |
InChI |
InChI=1S/C24H24F2N2O2/c1-16(24(27)29)28-14-18-8-9-23(30-15-19-5-3-7-22(26)13-19)20(11-18)10-17-4-2-6-21(25)12-17/h2-9,11-13,16,28H,10,14-15H2,1H3,(H2,27,29)/t16-/m0/s1 |
InChIKey |
UMTZZFVIHQNLBC-INIZCTEOSA-N |
Canonical SMILES |
CC(C(=O)N)NCC1=CC(=C(C=C1)OCC2=CC(=CC=C2)F)CC3=CC(=CC=C3)F |
Isomeric SMILES |
C[C@@H](C(=O)N)NCC1=CC(=C(C=C1)OCC2=CC(=CC=C2)F)CC3=CC(=CC=C3)F |
UNII |
NS6L5WLS3N |
Physical and chemical properties of 1000370-27-3
Acidity coefficient |
16.03±0.50(Predicted) |
|---|---|
Boiling Point |
560.4±50.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
410.180573 |
Flash Point |
292.7±30.1 °C |
Index of Refraction |
1.582 |
LogP |
4.41 |
Molecular Formula |
C24H24F2N2O2 |
Molecular Weight |
410.456 |
Vapour Pressure |
0.0±1.5 mmHg at 25°C |
Applications of 1000370-27-3
The primary application of (S)-2-((3-(3-Fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide lies in medicinal chemistry, specifically in the development of treatments for neurodegenerative diseases. Its ability to inhibit monoamine oxidase B makes it a candidate for further research in pharmacology. Additionally, its structural characteristics may allow it to serve as a lead compound for developing new therapeutic agents targeting similar pathways.
Interaction Studies of 1000370-27-3
Research into the interactions of (S)-2-((3-(3-Fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide with biological targets has shown promise in understanding its mechanism of action. Studies indicate that it may interact with neurotransmitter systems, particularly those involving dopamine and glutamate, which are critical in various neurological functions and disorders.
Biological Activity of 1000370-27-3
(S)-2-((3-(3-Fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide is recognized for its pharmacological properties, particularly as a selective monoamine oxidase B inhibitor. This activity suggests potential applications in treating neurological disorders such as Parkinson's disease by enhancing dopamine levels. Additionally, it has been noted for its role in modulating glutamate release and acting as a sodium channel blocker.
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