Basic Description

Synonyms	N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide \| Q5323607 \| SCHEMBL1040297 \| UNII-VT87V86D7W \| DTXSID101045254 \| KJPHTXTWFHVJIG-UHFFFAOYSA-N \| N-Ethyl-2-((6-methoxy-3-pyridinyl)((2-methylphenyl)sulfonyl
Specifications & Purity	Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms	Highly potent, selective OX2receptor antagonist (IC50values are 2.3 nM and 1900 nM for OX2and OX1respectively). Displays negligible or no inhibition of a panel of 80 receptors. Blocks orexin-B- and orexin-A-invoked calcium mobilization in hOX2-expressing
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of OX 1 receptor;Antagonist of OX 2 receptor

Associated Targets(Human)

HCRTR1 Tclin Orexin receptor type 1 (0 Activities)

Discover Target: HCRTR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HCRTR2 Tclin Orexin receptor type 2 (3 Activities)

Discover Target: HCRTR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HCRTR1 Tclin Orexin receptor 1 (5435 Activities)

Discover Target: HCRTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCRTR2 Tclin Orexin receptor 2 (5902 Activities)

Discover Target: HCRTR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
INCHI	InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3
InChi Key	KJPHTXTWFHVJIG-UHFFFAOYSA-N
Canonical SMILES	CCN(CC1=CN=CC=C1)C(=O)CN(C2=CN=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3C
Isomeric SMILES	CCN(CC1=CN=CC=C1)C(=O)CN(C2=CN=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3C
WGK Germany	3
PubChem CID	9981404
Molecular Weight	454.54

Database links

Wikipedia	EMPA_(drug)
PubChem CID	9981404
CAS Registry No.	680590-49-2
ChEMBL Ligand	CHEMBL2385132
RCSB PDB Ligand	7MA
GPCRdb Ligand	EMPA

Certificates

Certificate of Analysis(COA)

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5 results found

Lot Number	Certificate Type	Date	Item
B2313142	Certificate of Analysis	Oct 24, 2022	E288004
B2313143	Certificate of Analysis	Oct 24, 2022	E288004
B2313144	Certificate of Analysis	Oct 24, 2022	E288004
B2313147	Certificate of Analysis	Oct 24, 2022	E288004
B2313148	Certificate of Analysis	Oct 24, 2022	E288004

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 45.45, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 22.73, Max Conc. mM: 50

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H302:Harmful if swallowed
Precautionary Statements	P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help.
WGK Germany	3
RIDADR	NONHforallmodesoftransport

References

1. Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS et al.. (2020) Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.. J Med Chem, 63 (4): (1528-1543). [PMID:31860301]

Solution Calculators

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SKU	Size	Availability	Price
E288004-5mg	5mg	In stock	$147.90
E288004-10mg	10mg	In stock	$246.90
E288004-25mg	25mg	In stock	$543.90
E288004-50mg	50mg	In stock	$939.90
E288004-100mg	100mg	In stock	$1,533.90

EMPA - ≥98%(HPLC), high purity , CAS No.680590-49-2, Antagonist of OX 1 receptor;Antagonist of OX 2 receptor