3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole

Base Information

• Chemical Name: 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole
• CAS No.: 154130-99-1
• Molecular Formula: C18H22 N2 O
• Molecular Weight: 282.38
• UNII: FV9595VZB7
• DSSTox Substance ID: DTXSID90703437
• Nikkaji Number: J824.507J
• Wikipedia: PD_144418
• Wikidata: Q27456166
• Pharos Ligand ID: W79HYXW6S1GJ
• ChEMBL ID: CHEMBL4088272
• Mol file: 154130-99-1.mol

Synonyms:1-propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine;PD 144418;PD-144418;PD144418

Chemical Property of 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole

Chemical Property:

• PSA: 103.87000
• LogP: 3.24260
• Storage Temp.: Desiccate at RT
• Solubility.: <18.62mg/ml in DMSO
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282.173213330
• Heavy Atom Count: 21
• Complexity: 360

Purity/Quality:

98%,99%, ^*data from raw suppliers

PD144418oxalate ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C
• Uses: PD 144418 is high affinity, selective σ1 ligand (Ki values are 0.08 and 1377 nM for σ1 and σ2 respectively). PD 144418 displays no significant activity at a wide range of other receptors, ion channels and enzymes. PD 144418 antagonizes mescaline-induced scratching in mice following i.p. administration.