CU CPT 9a - ≥98%(HPLC) , CAS No.2165340-32-7

CAS: 2165340-32-7 Cat. No.: C288811 Molecular Weight: 265.31

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-(7-methoxyquinolin-4-yl)-2-methylphenol | 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol | BS-16510 | s9730 | 2165340-32-7 | EX-A3051 | CU CPT 9a | HY-112667 | AC-36561 | 4-(7-Methoxy-4-quinolinyl)-2-methylphenol | 2-Methyl-4-(7-methoxy-4-quinolinyl)phenol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-(7-methoxyquinolin-4-yl)-2-methylphenol | 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol | BS-16510 | s9730 | 2165340-32-7 | EX-A3051 | CU CPT 9a | HY-112667 | AC-36561 | 4-(7-Methoxy-4-quinolinyl)-2-methylphenol | 2-Methyl-4-(7-methoxy-4-quinolinyl)phenol

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent TLR8 inhibitor (IC50= 0.5 nM and Kd= 21 nM). Stabilizes the TLR8 dimer in its resting state, preventing activation. Suppresses TLR8-mediated proinflammatory signaling in various cell lines and human primary cells. CU-CPT9a is a potent and selective

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.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504773401
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773401
• Canonical Smiles: CC1=C(C=CC(=C1)C2=C3C=CC(=CC3=NC=C2)OC)O
• IUPAC Name: 4-(7-methoxyquinolin-4-yl)-2-methylphenol
• InChIKey: HNYBTVKYLVLWCB-UHFFFAOYSA-N
• INCHI: 1S/C17H15NO2/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16/h3-10,19H,1-2H3
• Isomeric SMILES: CC1=C(C=CC(=C1)C2=C3C=CC(=CC3=NC=C2)OC)O
• Molecular Weight: 265.31
• Reaxy-Rn: 32065721
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32065721&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Ortho cresols Anisoles Toluenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 4-phenylpyridine - O-cresol - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

TLR8 Tchem Toll-like receptor 8 (1 Activities)

Discover Target: TLR8

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 26.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.31, Max Conc. mM: 20
• Molecular Weight: 265.310 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 265.11 Da
• Monoisotopic Mass: 265.11 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 322.000
• 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