530-54-1

Basic information

• Product Name: Methophedrinum
• Synonyms: Methophedrinum;1-(4-methoxyphenyl)-2-methylamino-propan-1-one;1-(4-Methoxyphenyl)-2-methylamino-1-propanone;1491 CB;4'-Methoxy-α-(methylamino)propiophenone;Methedrone;4'-Methoxy-2-methylaminopropiophenone;4-Methoxymethcathinone
• CAS NO: 530-54-1
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.245
• Mol File: 530-54-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 313.7 °C at 760 mmHg
• Flash Point: 143.5 °C
• Appearance: /
• Density: 1.032
• Vapor Pressure: 0.000487mmHg at 25°C
• Refractive Index: 1.507
• PKA: 7.48±0.10(Predicted)
• CAS DataBase Reference: Methophedrinum(CAS DataBase Reference)
• NIST Chemistry Reference: Methophedrinum(530-54-1)
• EPA Substance Registry System: Methophedrinum(530-54-1)

Safety Data

• Hazardous Substances Data: 530-54-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3

Upstream product

• 100-66-3 methoxybenzene 
• 121-97-1 4-Methoxypropiophenone 
• 21086-33-9 2-bromo-1-(4-methoxyphenyl)-1-propanone 
• 74-89-5 methylamine 

Downstream Products

• 102675-62-7 (+/-)-erythro-2-methylamino-1-(4-methoxy-phenyl)-propanol-⁽¹⁾ 

Relevant articles and documents

Novel benzene-based carbamates for ache/bche inhibition: Synthesis and ligand/structure-oriented sar study

A series of new benzene-based derivatives was designed, synthesized and comprehensively characterized. All of the tested compounds were evaluated for their in vitro ability to potentially inhibit the acetyl-and butyrylcholinesterase enzymes. The selectivity index of individual molecules to cholinesterases was also determined. Generally, the inhibitory potency was stronger against butyryl-compared to acetylcholinesterase; however, some of the compounds showed a promising inhibition of both enzymes. In fact, two compounds (23, benzyl ethyl(1-oxo-1-phenylpropan-2-yl)carbamate and 28, benzyl (1-(3-chlorophenyl)-1-oxopropan-2-yl) (methyl)carbamate) had a very high selectivity index, while the second one (28) reached the lowest inhibitory concentration IC50 value, which corresponds quite well with galanthamine. Moreover, comparative receptor-independent and receptor-dependent structure–activity studies were conducted to explain the observed variations in inhibiting the potential of the investigated carbamate series. The principal objective of the ligand-based study was to comparatively analyze the molecular surface to gain insight into the electronic and/or steric factors that govern the ability to inhibit enzyme activities. The spatial distribution of potentially important steric and electrostatic factors was determined using the probability-guided pharmacophore mapping procedure, which is based on the iterative variable elimination method. Additionally, planar and spatial maps of the host–target interactions were created for all of the active compounds and compared with the drug molecules using the docking methodology.