MTHFD2-IN-4
MTHFD2-IN-4 is a selective MTHFD2 inhibitor. MTHFD2-IN-4 binds to the substrate-binding site of MTHFD2, interacts with Arg43, Tyr84, Asn87, Lys88, Gln132 and Gly310, and does not interact with the key selective residues of MTHFD1. MTHFD2-IN-4 exerts its function through selective inhibition of MTHFD2 in cancer cells. MTHFD2-IN-4 can be used in cancer-related research.
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- Formule: C26H21F6N2O5-
- Masse moléculaire:555.45
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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]
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Activité biologique
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Chemical Information
- Pureté et documentation
- Références
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Help & FAQs
Activité biologique
MTHFD2-IN-4 (compound 11) binds stably to the substrate binding site of MTHFD2, forming key interactions with selectivity-related residues, with a Glide docking score of -8.8 kcal/mol and an MM-GBSA binding free energy of -75.57 kcal/mol[1].
MTHFD2-IN-4 binds poorly to the substrate binding site of MTHFD1, showing high ligand instability and lacking key interactions with critical residues, indicating selective binding to MTHFD2[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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Masse moléculaire 555.45
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Formule C26H21F6N2O5-
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SMILES
O=C1OC2=C(C3=C1CN(CC3)C(C4=CC=C(C=C4)C([O-])(C(F)(F)F)C(F)(F)F)=O)C=CC(C5CNCCO5)=C2
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Livraison
Room temperature in continental US; may vary elsewhere.
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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-4 Related Classifications
HY-149828 Related Classifications
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