GW 627368 - Moligand™, ≥98%(HPLC) , Antagonist of EP 4 receptor, CAS No.439288-66-1, Antagonist of EP 4 receptor

CAS: 439288-66-1 Cat. No.: G288949 Fórmula: C₃₀H₂₈N₂O₆S Peso molecular: 544.62

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

A842355 | NSC 96380 | GW627368X | GW-627368X | BCP15277 | EX-A603 | GW 627368 | SY029966 | Benzeneacetamide, 4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz(f)isoindol-2-yl)-N-(phenylsulfonyl)- | DB08074 | HMS3650M04 | 2-(4-(4,9-diethoxy-1-oxo-1,3-dihydro-2H-be

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

A842355 | NSC 96380 | GW627368X | GW-627368X | BCP15277 | EX-A603 | GW 627368 | SY029966 | Benzeneacetamide, 4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz(f)isoindol-2-yl)-N-(phenylsulfonyl)- | DB08074 | HMS3650M04 | 2-(4-(4,9-diethoxy-1-oxo-1,3-dihydro-2H-be

Especificações e pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Selective prostanoid EP4receptor competitive antagonist with additional affinity at TP receptors (pKivalues are 7.0 and 6.8 in competition radioligand bioassays). Affinity for all other prostanoid receptors is < 5.3. Inhibits U-46619 induced human platel

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of EP 4 receptor

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504763559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763559
• Sorrisos canónicos: CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)NS(=O)(=O)C5=CC=CC=C5
• IUPAC Name: N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide
• InChIKey: XREWXJVMYAXCJV-UHFFFAOYSA-N
• INCHI: 1S/C30H28N2O6S/c1-3-37-28-23-12-8-9-13-24(23)29(38-4-2)27-25(28)19-32(30(27)34)21-16-14-20(15-17-21)18-26(33)31-39(35,36)22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3,(H,31,33)
• SMILES isoméricas: CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)NS(=O)(=O)C5=CC=CC=C5
• Peso molecular: 544.62
• Reaxy-Rn: 10400252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10400252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Phenylacetamides Benzenesulfonamides Naphthalenes Benzenesulfonyl compounds Isoindoles Phenol ethers Alkyl aryl ethers Tertiary carboxylic acid amides Aminosulfonyl compounds Organosulfonic acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Naphthalene - Phenylacetamide - Isoindolone - Benzenesulfonyl group - Isoindole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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

Alvos associados (humanos)

PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (0 Activities)

Discover Target: PTGER4

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 54.46, Max Conc. mM: 100
• Peso molecular: 544.600 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 544.167 Da
• Monoisotopic Mass: 544.167 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 953.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 439288-66-1, the molecular formula is C30H28N2O6S, and the molecular weight is 544.62 g/mol. InChIKey XREWXJVMYAXCJV-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.