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S1RA

CAT: 0013-GTR19169020-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169020-01Size:5 mg
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Description
S1RA hydrochloride (E-52862 hydrochloride) is a potent and selective sigma-1 receptor (σ1R) antagonist with a Ki of 17 nM, demonstrating over 1000-fold selectivity versus the σ2R. This tool compound is widely used in preclinical research to investigate σ1R function in models of neuropathic pain, neurodegenerative diseases, and psychiatric disorders.
CAS Number
1265917-14-3
Product Name Alternative
E-52862 HCl
Field of Research
Neuroscience
Purity
>98%
Bioactivity
Selective sigma-1 antagonist
Form
Powder
Solubility
Soluble in DMSO (up to at least 25 mg/ml)
Smiles
Cl.Cc1cc (OCCN2CCOCC2) nn1-c1ccc2ccccc2c1
Molecular Formula
C20H23N3O2·HCl
Molecular Weight
373.88
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
4-{2-[5-Methyl-1- (napthalen-2-yl) -1H-pyrazol-3-yloxy]ethyl}morpholine hydrochloride

Chemical Information

S1RA hydrochloride
CAS Number1265917-14-3
PubChem CID50914801
IUPAC Name4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride
Molecular FormulaC20H24ClN3O2
Molecular Weight373.9
Topological Polar Surface Area39.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity416
SMILES
CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4.Cl
InChI
InChI=1S/C20H23N3O2.ClH/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;1H
InChIKey
SHRYQZBTQDMGLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S1RA hydrochloride
CAS: 1265917-14-3
CID: 50914801
Formula: C20H24ClN3O2
MW: 373.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass373.1557047
Monoisotopic Mass373.1557047
Topological Polar Surface Area39.5 Ų
Heavy Atom Count26
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 Count2
Compound Is CanonicalizedYes

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