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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- 화학식: C26H21F6N2O5-
- 분자량:555.45
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보관:
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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Biological Activity
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Chemical Information
- 순도&문서
- References
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Help & FAQs
Biological Activity
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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분자량 555.45
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화학식 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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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
MTHFD2-IN-4 Related Classifications
HY-149828 Related Classifications
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