MTHFD2-IN-2
MTHFD2-IN-2 is a selective MTHFD2 inhibitor with poor binding to MTHFD1. MTHFD2-IN-2 binds to the MTHFD2 substrate binding site, forming π-π stacking with Tyr84, hydrogen bond/salt-bridge contacts with Arg43 and Asn87, and lipophilic interactions with Ile276. MTHFD2-IN-2 exhibits predicted anticancer activity. MTHFD2-IN-2 can be used for the research of cancer.
Nos produits utilisent uniquement pour la recherche. Nous ne vendons pas aux patients.
- Formule: C22H18N4O5
- Masse moléculaire:418.40
-
Stockage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
-
Activité biologique
-
Chemical Information
- Pureté et documentation
- Références
-
Help & FAQs
Activité biologique
MTHFD2[1]
MTHFD2-IN-2 (compound 13) binds selectively to the substrate binding site of MTHFD2, with a docking score of -9.4 kcal/mol and a MM-GBSA binding free energy of -70.23 kcal/mol, forming key interactions with selectivity-driving residues Arg43 and Asn87[1].
MTHFD2-IN-2 binds poorly to the substrate binding site of MTHFD1, with a docking score of -6.5 kcal/mol and a MM-GBSA binding free energy of -51.07 kcal/mol, lacking interactions with key selectivity residues and showing high ligand instability[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
-
Masse moléculaire 418.40
-
Formule C22H18N4O5
-
SMILES
O=C(O)C1=CC=C(C(N2CCC3=C(C2)C(OC4=C3C=CC=C4)=O)=O)C=C1C5CN=NN5
-
Livraison
Room temperature in continental US; may vary elsewhere.
-
Stockage
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureté et documentation
Références
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
MTHFD2-IN-2 Related Classifications
HY-149826 Related Classifications
Powered by Bioz