CETP-IN-5
CETP-IN-5 is a CETP inhibitor with an IC50 of 75.54 nM. CETP-IN-5 is predicted by computer simulation to bind the central hydrophobic tunnel and restrict the lipid transfer pathway, thereby inhibiting neutral lipid transfer. CETP-IN-5 shows an inhibitory effect that increases with increasing N-alkyl ester chain length, with the longest-chain N-alkyl ester exhibiting the highest activity. CETP-IN-5 can be used for research on cardiovascular diseases.
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- Formel: C27H34F3NO2
- Molecular Weight:461.56
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Speicherung:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biologische Aktivität
Beschreibung
In Vitro
CETP-IN-5 was shown by 500 ns MD simulation to stably bind the CETP hydrophobic cavity (MM-PBSA binding free energy approximately -43.82 kcal/mol) and to interfere with cholesteryl ester/triglyceride transport by constricting the neutral lipid transfer tunnel (average widest channel radius 1.28 Å)[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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Molecular Weight 461.56
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Formel C27H34F3NO2
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SMILES
O=C(OCC)CCCCCN1C2=C(C)C=C(C)C=C2C(C3=CC=CC(C(F)(F)F)=C3)CCC1
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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
Please store the product under the recommended conditions in the Certificate of Analysis.
Reinheit & Dokumentation
Verweise
Calculators
Konzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)