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Cutamesine

CAT: 0931-T36922-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T36922-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
165377-43-5
Target
Sigma receptor
Related Pathways
GPCR/G Protein
Bioactivity
Cutamesine (SA4503; AGY-94806), a selective sigma 1 receptor (σ1R) agonist, exhibits high affinity for the σ1R subtype as indicated by (+) -[3H]pentazocine labeling, with an IC50 value of 17.4±1.9 nM. It demonstrates 100-fold lower affinity for the sigma 2 receptor.
Smiles
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Molecular Formula
C23H32N2O2
Molecular Weight
368.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cutamesine
CAS Number165377-43-5
PubChem CID9907323
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine
Molecular FormulaC23H32N2O2
Molecular Weight368.5
XLogP3.9
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity392
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3)OC
InChI
InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
InChIKey
UVSWWUWQVAQPJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cutamesine
CAS: 165377-43-5
CID: 9907323
Formula: C23H32N2O2
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass368.246378268
Monoisotopic Mass368.246378268
Topological Polar Surface Area24.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity392
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