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.
For research use only. We do not sell to patients.
- Formula: C27H34F3NO2
- Molecular Weight:461.56
-
Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
Description
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
-
Molecular Weight 461.56
-
Formula C27H34F3NO2
-
SMILES
O=C(OCC)CCCCCN1C2=C(C)C=C(C)C=C2C(C3=CC=CC(C(F)(F)F)=C3)CCC1
-
Shipping
Room temperature in continental US; may vary elsewhere.
-
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)