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

CAS: 2165340-32-7 Cat. No.: C288811 분자식: C₁₇H₁₅NO₂ 분자량: 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

동의어

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

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 504773401
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773401
• 정식 스마일: 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
• 이성체 SMILES: CC1=C(C=CC(=C1)C2=C3C=CC(=CC3=NC=C2)OC)O
• 분자량: 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
    • 분류 Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 26.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.31, Max Conc. mM: 20
• 분자량: 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