ONO-AE2-227 - Moligand™ , Antagonist of EP 3 receptor;Antagonist of EP 4 receptor, CAS No.357605-73-3, Antagonist of EP 3 receptor;Antagonist of EP 4 receptor

CAS: 357605-73-3 Cat. No.: O612528 PubChem CID: 5311232

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of EP 3 receptor;Antagonist of EP 4 receptor

Nomi e identificatori

• Sorrisi canonici: O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O
• IUPAC Name: 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid
• InChIKey: BLJLWFKNTKAUDA-UHFFFAOYSA-N
• INCHI: 1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31)
• Isomeri SMILES: CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O
• PubChem CID: 5311232

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Naphthalenes Benzoic acids Anilides N-arylamides Benzoyl derivatives Secondary carboxylic acid amides Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Diphenylmethane - Naphthalene - Benzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - N-arylamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Obiettivi associati (umani)

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 (2 Activities)

Discover Target: PTGER3

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

PTGER4 Tclin Prostanoid EP4 receptor (2181 Activities)

Discover Target: PTGER4

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 409.500 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 409.168 Da
• Monoisotopic Mass: 409.168 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 620.000
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 357605-73-3. InChIKey BLJLWFKNTKAUDA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.