CU-CPT9b - Moligand™,≥98% , CAS No.2162962-69-6

CAS: 2162962-69-6 Cat. No.: C648540 Fórmula: C₁₆H₁₃NO₂ Peso molecular: 251.28 PubChem CID: 135567366

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-(4-Hydroxy-3-methylphenyl)quinolin-7-ol | TLR8-specific antagonist 1

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

CU-CPT9b is a specific TLR8 antagonist, with an IC 50 of 0.7 nM. CU-CPT9b shows high binding affinity towards TLR8 with a K d of 21 nM

In Vitro

CU-CPT9b is a specific TLR8 antagonist, with an IC 50 of 0.7±0.2 nM. ITC experiments have confirmed the strong binding of CU-CPT9b with a K d of 21 nM. It is shown that CU-CPT-9b binds to the inactive TLR8 dimer in a similar way to CU-CPT8m. CU-CPT9b utilizes hydrogen bonds with G351 and V520*, which are conserved among TLR8/antagonist structures. Additionally, CU-CPT9b forms water-mediated contacts with S516* and Q519*, which are not observed in TLR8/CU-CPT8m structure, suggesting that the enhanced potency of CU-CPT9b derives from the new interactions with these polar residues. The orientation of Y567* also changes to facilitate van der Waals interactions with CU-CPT9b as compared to TLR8/CU-CPT8m. 

Form:Solid

IC50& Target:TLR8 0.7 nM (IC 50 ) TLR8 21 nM (Kd)

Specifications

Sinónimos

4-(4-Hydroxy-3-methylphenyl)quinolin-7-ol | TLR8-specific antagonist 1

Especificações e pureza

Moligand™,≥98%

Mecanismos bioquímicos e fisiológicos

CU-CPT9b is a specific TLR8 antagonist, with an IC 50 of 0.7 nM. CU-CPT9b shows high binding affinity towards TLR8 with a K d of 21 nM.

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

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

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C=CC(=C1)C2=C3C=CC(=CC3=NC=C2)O)O
• IUPAC Name: 4-(4-hydroxy-3-methylphenyl)quinolin-7-ol
• InChIKey: QXFYDRYRLOHSBD-UHFFFAOYSA-N
• INCHI: 1S/C16H13NO2/c1-10-8-11(2-5-16(10)19)13-6-7-17-15-9-12(18)3-4-14(13)15/h2-9,18-19H,1H3
• SMILES isoméricas: CC1=C(C=CC(=C1)C2=C3C=CC(=CC3=NC=C2)O)O
• PubChem CID: 135567366
• Peso molecular: 251.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 4-phenylpyridine - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 83.33 mg/mL (331.62 mM; Need ultrasonic)
• Peso molecular: 251.280 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 251.095 Da
• Monoisotopic Mass: 251.095 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 309.000
• 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?

This product is supplied at ≥98% purity (chemical assay). 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2162962-69-6, the molecular formula is C16H13NO2, and the molecular weight is 251.28 g/mol. InChIKey QXFYDRYRLOHSBD-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.