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S26131

CAT: 0013-GTR19174181-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19174181-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S26131 is a potent and selective melatonin receptor antagonist, exhibiting high affinity for MT1 (Ki = 0.5 nM) and lower affinity for MT2 (Ki = 112 nM) . This small molecule is a valuable research tool for investigating circadian rhythms, sleep disorders, and cancer biology in both in vitro and in vivo experimental models.
CAS Number
296280-56-3
Product Name Alternative
Antagonist, ligand, MTReceptor, inhibit, MT1 receptor, MT Receptor, MT2 receptor, MT2, N-[2-[7-[3-[8- (2-acetamidoethyl) naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide, Inhibitor, Melatonin Receptor, melatoninergic, S 26131, S26131, S-26131, selectively
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.69% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.01 mM) ; DMSO:25 mg/mL (50.14 mM)
Smiles
CC (=O) NCCc1cccc2ccc (OCCCOc3ccc4cccc (CCNC (C) =O) c4c3) cc12
Molecular Formula
C31H34N2O4
Molecular Weight
498.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CAS Number296280-56-3
PubChem CID9870523
IUPAC NameN-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
Molecular FormulaC31H34N2O4
Molecular Weight498.6
XLogP5.6
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity657
SMILES
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3
InChI
InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
InChIKey
NSXBZYDTTKLTOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CAS: 296280-56-3
CID: 9870523
Formula: C31H34N2O4
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass498.25185757
Monoisotopic Mass498.25185757
Topological Polar Surface Area76.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity657
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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CatalogName
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