Resiquimod - Moligand™, ≥98%(HPLC) , Agonist of TLR7;Agonist of TLR8, CAS No.144875-48-9, Agonist of TLR7;Agonist of TLR8

CAS: 144875-48-9 Cat. No.: R131891 Summenformel: C₁₇H₂₂N₄O₂ Molekulargewicht: 314.38 PubChem CID: 159603

QUALITÄT & REINHEIT Moligand™, ≥98%(HPLC)

Synonyms

R848 | R 848 | S 28463 | R-848 | Resiquimod [INN] | 1-(4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol. | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol | s28463 | R848;S28463 | Resiquimod (GMP

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

R848 | R 848 | S 28463 | R-848 | Resiquimod [INN] | 1-(4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol. | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol | s28463 | R848;S28463 | Resiquimod (GMP

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

Toll-like receptor 7 (TLR7) agonist. Induces upregulation of IL-6, IL-12, IFN-γand iNOS expression in mouse bone marrow-derived macrophages (BMMs). Inhibits RANKL-induced osteoclast differentiation in mouse BMMs and human peripheral blood monocytes. Also

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of TLR7;Agonist of TLR8

Reinheit

≥98%(HPLC)

Produkteigenschaften

ALogP

1.3

Namen und Kennungen

Pubchem Sid

528776396

Kanonisches Lächeln

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N

IUPAC Name

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

InChIKey

BXNMTOQRYBFHNZ-UHFFFAOYSA-N

INCHI

1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)

Isomere SMILES

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N

WGK Deutschland

3

RTECS

NJ5911320

PubChem CID

159603

Molekulargewicht

314.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Imidazoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Imidazoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoquinolines
• Alternative Parents: Aminoquinolines and derivatives Imidazo-[4,5-c]pyridines Aminopyridines and derivatives N-substituted imidazoles Imidolactams Benzenoids Tertiary alcohols Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazoquinoline - Aminoquinoline - Imidazopyridine - Imidazo-[4,5-c]pyridine - Aminopyridine - Imidolactam - Benzenoid - Pyridine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Tertiary alcohol - Dialkyl ether - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as imidazoquinolines. These are aromatic heterocyclic compounds containing an imidazole ring fused to a quinoline ring system. In some configurations, the imidazole ring shares a nitrogen atom with the quinoline moiety.
• External Descriptors: imidazoquinoline

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

Zugehörige Ziele (menschlich)

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)

TLR7 Tclin Toll-like receptor 7 (5 Activities)

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

HEK293 (82097 Activities)

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PBMC (10003 Activities)

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TLR8 Tchem Toll-like receptor 8 (1853 Activities)

Discover Target: TLR8

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

NUDT1 Tchem 7,8-dihydro-8-oxoguanine triphosphatase (280 Activities)

Discover Target: NUDT1

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mustela putorius furo (1007 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Hepatitis C virus (23859 Activities)

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Splenocyte (1641 Activities)

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Cynomolgus monkey (4946 Activities)

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CT26 (928 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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

Tlr7 Toll-like receptor 7 (174 Activities)

Discover Target: Tlr7

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

Plasma (328 Activities)

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Tlr7 TLR7 and TLR8 (70 Activities)

Discover Target: Tlr7

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

SARS-CoV-2 (38078 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 31.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 15.72, Max Conc. mM: 50
• Empfindlichkeit: Moisture sensitive；Heat sensitive
• Schmelzpunkt (°C): 193℃
• Molekulargewicht: 314.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 314.174 Da
• Monoisotopic Mass: 314.174 Da
• Topological Polar Surface Area: 86.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 406.000
• 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