Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
CU-CPT9b is a specific TLR8 antagonist, with an IC 50 of 0.7 nM. CU-CPT9b shows high binding affinity towards TLR8 with a K d of 21 nM
In Vitro
CU-CPT9b is a specific TLR8 antagonist, with an IC 50 of 0.7±0.2 nM. ITC experiments have confirmed the strong binding of CU-CPT9b with a K d of 21 nM. It is shown that CU-CPT-9b binds to the inactive TLR8 dimer in a similar way to CU-CPT8m. CU-CPT9b utilizes hydrogen bonds with G351 and V520*, which are conserved among TLR8/antagonist structures. Additionally, CU-CPT9b forms water-mediated contacts with S516* and Q519*, which are not observed in TLR8/CU-CPT8m structure, suggesting that the enhanced potency of CU-CPT9b derives from the new interactions with these polar residues. The orientation of Y567* also changes to facilitate van der Waals interactions with CU-CPT9b as compared to TLR8/CU-CPT8m.
Form:Solid
IC50& Target:TLR8 0.7 nM (IC 50 ) TLR8 21 nM (Kd)
| Canonical Smiles | CC1=C(C=CC(=C1)C2=C3C=CC(=CC3=NC=C2)O)O |
|---|---|
| IUPAC Name | 4-(4-hydroxy-3-methylphenyl)quinolin-7-ol |
| InChIKey | QXFYDRYRLOHSBD-UHFFFAOYSA-N |
| INCHI | 1S/C16H13NO2/c1-10-8-11(2-5-16(10)19)13-6-7-17-15-9-12(18)3-4-14(13)15/h2-9,18-19H,1H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)C2=C3C=CC(=CC3=NC=C2)O)O |
| PubChem CID | 135567366 |
| Molecular Weight | 251.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Phenylpyridines Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - 4-phenylpyridine - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Solubility | DMSO : 83.33 mg/mL (331.62 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 251.280 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 251.095 Da |
| Monoisotopic Mass | 251.095 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| 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 |
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