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ONO-AE3-208 - ≥98%, high purity , CAS No.402473-54-5, Antagonist of EP 3 receptor;Antagonist of EP 4 receptor

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 402473-54-5
Molecular Weight: 404.43
PubChem CID: 10111831
PubChem SID: 488196540

In stock

Item Number

O125509

Grouped product items
SKU	Size	Availability	Price
O125509-5mg	5mg	6	$117.90
O125509-10mg	10mg	5	$187.90
O125509-25mg	25mg	3	$423.90
O125509-50mg	50mg	3	$781.90

High affinity and selective EP4antagonist

View related series

Class A GPCR (4138) EP3 receptor Antagonist (11) EP4 receptor Antagonist (18) GPCR/G Protein (3172) Prostaglandin Receptor (169)

Basic Description

Synonyms	NCGC00378671-02 \| Q27088198 \| 4-(4-Cyano-2-(2-(4-fluoronaphthalen-1-yl)propanamido)phenyl)butanoic acid \| BCP29725 \| AKOS024457689 \| 4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic Acid \| ONO AE3 208 \| ONO-AE3-208, >=98% (HPLC) \| F
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	High affinity and selective EP4receptor antagonist (Kivalues are 1.3, 30, 790 and 2400 nM for EP4, EP3, FP and TP receptors respectively). Displays no affinity for EP1, EP2, DP or IP receptors (Ki>10μM). Inhibits PGE2-induced IL-8 production in colonic ep
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of EP 3 receptor;Antagonist of EP 4 receptor
Product Description	ONO-AE3-208(AE 3-208) is an EP4 antagonist; suppresses cell invasion, migration, and metastasis of prostate cancer. Product description： ONO-AE3-208 is a selective and orally active EP4 receptor antagonist with a Ki of 1.3 nM. ONO-AE3-208 shows less potently affects EP3, FP, and TP receptors (Ki of 30 nM, 790 nM, and 2400 nM, respectively). ONO-AE3-208 suppresses cell invasion, migration, and metastasis of prostate cancer.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Anilides N-arylamides Benzonitriles Aryl fluorides Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Anilide - Benzonitrile - N-arylamide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (2 Activities)

Discover Target: PTGER4

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

PTGER3 Tclin Prostaglandin E2 receptor EP3 subtype (1 Activities)

Discover Target: PTGER3

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

Names and Identifiers

Pubchem Sid	488196540
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196540
IUPAC Name	4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid
INCHI	InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)
InChIKey	MTDIMKNAJUQTIO-UHFFFAOYSA-N
Smiles	CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O
Isomeric SMILES	CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O
Alternate CAS	402473-54-5
MeSH Entry Terms	4-(4-cyano-2-(2-(4-fluoronaphthalen-1-yl)propionylamino)phenyl)butyric acid;AE3 208;AE3-208;ONO AE3-208;ONO-AE3-208
Molecular Weight	404.43
Reaxy-Rn	14177003
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14177003&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
D23191298	Certificate of Analysis	Feb 06, 2025	O125509
D23191270	Certificate of Analysis	Feb 06, 2025	O125509
D23191274	Certificate of Analysis	Feb 06, 2025	O125509
D23191277	Certificate of Analysis	Feb 06, 2025	O125509
D23191296	Certificate of Analysis	Feb 06, 2025	O125509
D23191282	Certificate of Analysis	Feb 06, 2025	O125509
D2319446	Certificate of Analysis	Feb 06, 2025	O125509
D23191273	Certificate of Analysis	Feb 06, 2025	O125509

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 40.44, Max Conc. mM: 100; Solvent:1eq. NaOH, Max Conc. mg/mL: 4.04, Max Conc. mM: 10 with gentle warming
Molecular Weight	404.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	404.154 Da
Monoisotopic Mass	404.154 Da
Topological Polar Surface Area	90.200 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	660.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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