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

CAS: 402473-54-5 Cat. No.: O125509 Molecular Weight: 404.43

GRADE & PURITY Moligand™, ≥98%

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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. 

Specifications

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

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196540
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196540
• Canonical Smiles: CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O
• IUPAC Name: 4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid
• InChIKey: MTDIMKNAJUQTIO-UHFFFAOYSA-N
• 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)
• 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=

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

Data sources

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)

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 Ų
• 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