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Resiquimod (R-848)

CAT: 0957-S8133-10mM/1mLSize: 10 mM/1mLDry Ice: YesHazardous: No
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CAT#:0957-S8133-10mM/1mLSize:10 mM/1mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144875-48-9
Synonyms
S28463
Target
TLR
Applications
Immunology & Inflammation
Smiles
CCOCC1=NC2=C (N1CC (C) (C) O) C3=CC=CC=C3N=C2N
Molecular Formula
C17H22N4O2
Additionnal Information
Resiquimod (R-848, S28463) is an immune response modifier that acts as a potent TLR 7/TLR 8 agonist that induces the upregulation of cytokines such as TNF-α, IL-6 and IFN-α. Resiquimod reduces hepatitis C virus (HCV) infection. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

Resiquimod

Resiquimod is an imidazoquinoline.

CAS Number144875-48-9
PubChem CID159603
IUPAC Name1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Molecular FormulaC17H22N4O2
Molecular Weight314.4
XLogP1.3
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity406
SMILES
CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N
InChI
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)
InChIKey
BXNMTOQRYBFHNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Resiquimod
CAS: 144875-48-9
CID: 159603
Formula: C17H22N4O2
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass314.17427596
Monoisotopic Mass314.17427596
Topological Polar Surface Area86.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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