Introduction：Basic information about CAS 2162962-69-6|CU-CPT-9a, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | CU-CPT-9a |
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| CAS Number | 2162962-69-6 | Molecular Weight | 251.28 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C16H13NO2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | CU-CPT-9a |
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| Synonym | More Synonyms |
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CU-CPT-9a BiologicalActivity
| Description | CU-CPT-9b is a specific TLR8 antagonist, with an IC50 of 0.7 nM. |
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| Related Catalog | Signaling Pathways >>Immunology/Inflammation >>Toll-like Receptor (TLR)Research Areas >>Inflammation/Immunology |
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| Target | TLR8:0.7 nM (IC50) |
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| In Vitro | CU-CPT-9b is a specific TLR8 antagonist, with an IC50 of 0.7±0.2 nM. ITC experiments have confirmed the strong binding of CU-CPT-9b with a Kd 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-CPT-9b forms water-mediated contacts with S516* and Q519*, which are not observed in TLR8/CU-CPT8m structure, suggesting that the enhanced potency of CU-CPT-9b derives from the new interactions with these polar residues. The orientation of Y567* also changes to facilitate van der Waals interactions with CU-CPT-9b as compared to TLR8/CU-CPT8m[1]. |
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| References | [1]. Zhang S, et al. Small-molecule inhibition of TLR8 through stabilization of its resting state. Nat Chem Biol. 2018 Jan;14(1):58-64. |
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Chemical & Physical Properties
| Molecular Formula | C16H13NO2 |
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| Molecular Weight | 251.28 |
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| InChIKey | QXFYDRYRLOHSBD-UHFFFAOYSA-N |
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| SMILES | Cc1cc(-c2ccnc3cc(O)ccc23)ccc1O |
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| Storage condition | 2-8℃ |
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Synonyms
