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S1RA

CAT: 0013-GTR19160919-07Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160919-07Size:10 mg
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Description
A potent and selective sigma-1 receptor antagonist with Ki of 17 nM; shows excellent selectivity over sigma-2 receptor (Ki>1 uM) ; shows high activity in the mouse capsaicin model of neurogenic pain, exerts dose-dependent antinociceptive effects in several neuropathic pain models.Pain Phase 2 Clinical.
CAS Number
878141-96-9
Product Name Alternative
E-52862
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CC1=CC (OCCN2CCOCC2) =NN1C1=CC2=CC=CC=C2C=C1
Molecular Formula
C20H23N3O2
Molecular Weight
337.4155
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Morpholine, 4-[2-[[5-methyl-1- (2-naphthalenyl) -1H-pyrazol-3-yl]oxy]ethyl]-

Chemical Information

4-(2-((5-Methyl-1-(2-naphthalenyl)-1H-pyrazol-3-yl)oxy)ethyl)morpholine

a sigma1 receptor antagonist

CAS Number878141-96-9
PubChem CID44247568
IUPAC Name4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
Molecular FormulaC20H23N3O2
Molecular Weight337.4
XLogP3.5
Topological Polar Surface Area39.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity416
SMILES
CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
InChI
InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
InChIKey
DGPGXHRHNRYVDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-((5-Methyl-1-(2-naphthalenyl)-1H-pyrazol-3-yl)oxy)ethyl)morpholine
CAS: 878141-96-9
CID: 44247568
Formula: C20H23N3O2
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass337.17902698
Monoisotopic Mass337.17902698
Topological Polar Surface Area39.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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