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M-AM-BBIQ

CAT: 0804-HY-159178Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159178Size:1 Each
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Description
M-AM-BBIQ (compound 10) is a dual TLR7 and TLR8 agonist, with EC50 values of 0.12 μM and 1.7 μM for hTLR7 and hTLR8, respectively[1].
CAS Number
1258457-58-7
UNSPSC
12352005
Target
Toll-like Receptor (TLR)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/m-am-bbiq.html
Smiles
NC1=NC2=CC=CC=C2C3=C1N=C(CCCC)N3CC4=CC=CC(CN)=C4
Molecular Formula
C22H25N5
Molecular Weight
359.47
References & Citations
[1]Kushvinder Kumar, et al. Modulation of the Adjuvant Potential of Imidazoquinoline-Based TLR7/8 Agonists via Alum Adsorption. ACS Med. Chem. Lett. 2024, July. 22.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CAS Number1258457-58-7
PubChem CID52944297
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine
Molecular FormulaC22H25N5
Molecular Weight359.5
XLogP3.5
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity472
SMILES
CCCCC1=NC2=C(N1CC3=CC=CC(=C3)CN)C4=CC=CC=C4N=C2N
InChI
InChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25)
InChIKey
AKLBWCHTGHQPMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CAS: 1258457-58-7
CID: 52944297
Formula: C22H25N5
MW: 359.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass359.21099582
Monoisotopic Mass359.21099582
Topological Polar Surface Area82.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity472
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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