PD 144418

CAT: 0931-T16445-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T16445-02Size:50 mg

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CAS Number

154130-99-1

Target

Sigma receptor

Related Pathways

GPCR/G Protein

Bioactivity

PD 144418 displays potential antipsychotic activity. PD 144418 is a high affinity, potent and selective sigma 1 (σ1) receptor ligand (Ki: 0.08 nM and 1377 nM for σ1 and σ2 respectively) . It shows devoid of any significant affinity for other receptors, ion channels, and enzymes.

Smiles

CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1

Molecular Formula

C18H22N2O

Molecular Weight

282.38

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PD 144418 Oxalate

CAS Number	154130-99-1
PubChem CID	53447361
IUPAC Name	3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole;oxalic acid
Molecular Formula	C20H24N2O5
Molecular Weight	372.4
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	432

SMILES

CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O.C2H2O4/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15;3-1(4)2(5)6/h5-9,12H,3-4,10-11,13H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

IWSFHSVGBKPYFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154130-99-1

CID: 53447361

Formula: C20H24N2O5

MW: 372.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	372.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	372.16852187
Monoisotopic Mass	372.16852187
Topological Polar Surface Area	104 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5755337	PD 144418
B7125-10	PD 144418 oxalate
HY-108512A-01	PD 144418 (oxalate)
525248	PD-144418 Oxalate
165839	PD 144418-d7 Oxalate

PD 144418

Chemical Information

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