PD 144418

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;
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;

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]

References

^ Akunne HC, Whetzel SZ, Wiley JN, Corbin AE, Ninteman FW, Tecle H, Pei Y, Pugsley TA, Heffner TG (January 1997). "The pharmacology of the novel and selective sigma ligand, PD 144418". Neuropharmacology. 36 (1): 51–62. doi:10.1016/S0028-3908(96)00161-X. PMID 9144641. S2CID 1356055.

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[Akunne_1997-1] Akunne HC, Whetzel SZ, Wiley JN, Corbin AE, Ninteman FW, Tecle H, Pei Y, Pugsley TA, Heffner TG (January 1997). "The pharmacology of the novel and selective sigma ligand, PD 144418". Neuropharmacology. 36 (1): 51–62. doi:10.1016/S0028-3908(96)00161-X. PMID 9144641. S2CID 1356055.

[1]

Identifiers

IUPAC name 1,2,3,6-tetrahydro-5-[3-(4-methylphenyl)-5-isoxazolyl]-1-propylpyridine
CAS Number	154130-99-1
ChemSpider	7992981
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