F2276-0008
F2276-0008 is a potential PCAF bromodomain (PDB 5FDZ) inhibitor. F2276-0008 is predicted to have good cell permeability and oral absorption. F2276-0008 exhibits a stable C-alpha backbone RMSD and maintains compactness. F2276-0008 can be used for cancer-related research.
For research use only. We do not sell to patients.
- CAS No.: 922000-45-1
- Formula: C22H20N2O4
- Molecular Weight:376.41
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
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Biological Activity
Description
In Vitro
F2276-0008 exhibits a highly favorable binding free energy (ΔGBind) of -93.853 kcal/mol with PCAF BRD[1].
F2276-0008 is predicted to have good drug-like properties, with 100% human oral absorption and good cell permeability[1].
F2276-0008 has HOMO, LUMO, and HLG values of -0.207, -0.049, and -0.158, respectively, indicating its chemical reactivity[1].
F2276-0008 forms a stable complex with PCAF BRD, with an RMSD of 1.2 Å[1].
F2276-0008 interacts with the PCAF BRD complex mainly through Asn803, Tyr809, and Tyr802[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 922000-45-1
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Molecular Weight 376.41
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Formula C22H20N2O4
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SMILES
O=C(NC1=CC=C2OCCN(C(=O)C2=C1)C)COC=3C=CC=4C=CC=CC4C3
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
F2276-0008 Related Classifications
HY-153147 Related Classifications
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