Agomelatine (Standard)

CAT: 0804-HY-17038R-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-17038R-01Size:1 mg

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Description

Agomelatine (Standard) is the analytical standard of Agomelatine. This product is intended for research and analytical applications. Agomelatine (S-20098) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively[1]. Agomelatine is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively[2].

CAS Number

138112-76-2

Product Name Alternative

S-20098 (Standard)

UNSPSC

12352005

Target

5-HT Receptor; Endogenous Metabolite; Melatonin Receptor; Reference Standards

Type

Reference Standards

Related Pathways

GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling; Others

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/agomelatine-standard.html

Smiles

CC(NCCC1=C2C=C(OC)C=CC2=CC=C1)=O

Molecular Formula

C15H17NO2

Molecular Weight

243.30

References & Citations

[1]Audinot V, et al. New selective ligands of human cloned melatonin MT1 and MT2 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2003 Jun;367 (6) :553-61.|[2]Millan MJ, et al. The novel melatonin agonist agomelatine (S20098) is an antagonist at 5-hydroxytryptamine2C receptors, blockade of which enhances the activity of frontocortical dopaminergic and adrenergic pathways. J Pharmacol Exp Ther. 2003 Sep;306 (3) :954-64.|[3]Aguiar CC, et al. Effects of agomelatine on oxidative stress in the brain of mice after chemically induced seizures. Cell Mol Neurobiol. 2013 Aug;33 (6) :825-35.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Isoform

5-HT2 Receptor

Chemical Information

Agomelatine

Agomelatine is a member of acetamides.

CAS Number	138112-76-2
PubChem CID	82148
IUPAC Name	N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Molecular Formula	C15H17NO2
Molecular Weight	243.30
XLogP	2.7
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	280

SMILES

CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC

InChI

InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)

InChIKey

YJYPHIXNFHFHND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138112-76-2

CID: 82148

Formula: C15H17NO2

MW: 243.30

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	243.30
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	243.125928785
Monoisotopic Mass	243.125928785
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	280
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

Related Products

Catalog	Name
HY-17038AR-01	Agomelatine (hydrochloride) (Standard)
HY-17038-01	Agomelatine
HY-17038A-01	Agomelatine (hydrochloride)
HY-17038S-01	Agomelatine-d6
HY-17038S2	Agomelatine-d3
HY-17038S1	Agomelatine-d4
HY-133111-01	3-Hydroxy agomelatine
HY-133113-01	7-Desmethyl-agomelatine
HY-133113S-01	7-Desmethyl-agomelatine-d3
HY-133111S-01	3-Hydroxy agomelatine-d3

Alternative Products

Catalog	Name
259009-01	Agomelatine
CS-O-02621	Agomelatine-d6

Agomelatine (Standard)

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