MTHFD2-IN-4 sodium 

MTHFD2-IN-4 sodium is a selective MTHFD2 inhibitor. MTHFD2-IN-4 sodium 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 sodium exerts its function through selective inhibition of MTHFD2 in cancer cells. MTHFD2-IN-4 sodium can be used in cancer-related research^[1].

MTHFD2-IN-4 (compound 11) sodium 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 sodium 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.

578.44

C₂₆H₂₁F₆N₂NaO₅

O=C1OC2=C(C3=C1CN(CC3)C(C4=CC=C(C=C4)C(C(F)(F)F)(O[Na])C(F)(F)F)=O)C=CC(C5CNCCO5)=C2

Room temperature in continental US; may vary elsewhere.

Please store the product under the recommended conditions in the Certificate of Analysis.

• [1]. Jha V, et al.. Binding Analysis and Structure-Based Design of Tricyclic Coumarin-Derived MTHFD2 Inhibitors as Anticancer Agents: Insights from Computational Modeling. ACS omega. 2023 Apr 25;8(16):14440-14458.  [Content Brief]