S1R agonist 1

CAT: 0931-T74822Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T74822Size:2 mg

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CAS Number

193354-70-0

Target

Others, Sigma receptor

Related Pathways

GPCR/G Protein, Others

Bioactivity

Compound 6b, also known as S1R agonist 1, is a selective agonist for S1R with dissociation constants (Ki) of 0.93 nM for S1R and 72 nM for S2R. This compound demonstrates neuroprotective effects against reactive oxygen species (ROS) and NMDA-induced neurotoxicity [1].

Smiles

C(C1CCN(CCOC2=CC=CC=C2)CC1)C3=CC=CC=C3

Molecular Formula

C20H25NO

Molecular Weight

295.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-Benzyl-1-(2-phenoxyethyl)piperidine

CAS Number	193354-70-0
PubChem CID	1328600
IUPAC Name	4-benzyl-1-(2-phenoxyethyl)piperidine
Molecular Formula	C20H25NO
Molecular Weight	295.4
XLogP	4.6
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	286

SMILES

C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H25NO/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2

InChIKey

HRBKFQYSVXXYDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 193354-70-0

CID: 1328600

Formula: C20H25NO

MW: 295.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	295.4
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	295.193614421
Monoisotopic Mass	295.193614421
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	286
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	1
Compound Is Canonicalized	Yes

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S1R agonist 1

Chemical Information

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