PD 144418

PD 144418 or 1,2,3,6-tetrahydro-5-[3-(4-methylphenyl)-5-isoxazolyl]-1-propylpyridine is a potent and selective ligand for the sigma-1 receptor, with a reported binding affinity of K_i = 0.08 ± 0.01 nM, and 17,212 times selectivity over the sigma-2 receptor.^[1]

CAS Number

• 154130-99-1

ChemSpider

• 7992981

UNII

• FV9595VZB7

CompTox Dashboard (EPA)

• DTXSID101336203 DTXSID90703437, DTXSID101336203

Quick facts Identifiers, CAS Number ...

PD 144418

Identifiers
IUPAC name 1,2,3,6-tetrahydro-5-[3-(4-methylphenyl)-5-isoxazolyl]-1-propylpyridine
CAS Number	154130-99-1
ChemSpider	7992981
UNII	FV9595VZB7
CompTox Dashboard (EPA)	DTXSID101336203 DTXSID90703437, DTXSID101336203
Chemical and physical data
Formula	C18H22N2O
Molar mass	282.387 g·mol−1
3D model (JSmol)	Interactive image
SMILES CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C
InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 Key:FOQRKFCLRMMKAT-UHFFFAOYSA-N

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