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CL097 (hydrochloride)

CAT: 0804-HY-128799A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128799A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CL097, a potent TLR7 and TLR8 agonist, induces pro-inflammatory cytokines in macrophages[1]. CL097 induces NADPH oxidase priming, resulting in an increase of the fMLF-stimulated ROS production[2].
CAS Number
2990770-48-2
UNSPSC
12352005
Target
Reactive Oxygen Species (ROS) ; Toll-like Receptor (TLR)
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/cl097-hydrochloride.html
Purity
99.96
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
NC1=NC2=CC=CC=C2C3=C1NC(COCC)=N3.[H]Cl
Molecular Formula
C13H15ClN4O
Molecular Weight
278.74
References & Citations
[1]Cindy Patinote, et al. Agonist and antagonist ligands of toll-like receptors 7 and 8: Ingenious tools for therapeutic purposes. Eur J Med Chem. 2020 May 1;193:112238.|[2]Karama Makni-Maalej, et al. The TLR7/8 agonist CL097 primes N-formyl-methionyl-leucyl-phenylalanine-stimulated NADPH oxidase activation in human neutrophils: critical role of p47phox phosphorylation and the proline isomerase Pin1. J Immunol. 2012 Nov 1;189 (9) :4657-65.|[3]A S Lee, et al. Toll-like receptor 7 stimulation promotes autoimmune diabetes in the NOD mouse. Diabetologia. 2011 Jun;54 (6) :1407-16.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
TLR7; TLR8

Chemical Information

CL097 (hydrochloride)
CAS Number2990770-48-2
PubChem CID164887479
IUPAC Name2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine;hydrochloride
Molecular FormulaC13H15ClN4O
Molecular Weight278.74
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity288
SMILES
CCOCC1=NC2=C(N1)C(=NC3=CC=CC=C32)N.Cl
InChI
InChI=1S/C13H14N4O.ClH/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10;/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17);1H
InChIKey
KTOHDRYYPGXUNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CL097 (hydrochloride)
CAS: 2990770-48-2
CID: 164887479
Formula: C13H15ClN4O
MW: 278.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.74
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass278.0934388
Monoisotopic Mass278.0934388
Topological Polar Surface Area76.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity288
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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