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Referencia número: HY-149828

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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.

Para uso exclusivo en investigación. No vendemos a pacientes.

Fòrmula: C₂₆H₂₁F₆N₂O₅^-
Peso molecular:555.45

Almacenamiento:

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

Data Sheet (268 KB)

MTHFD2-IN-4 Chemical Structure

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Use of MCE Products

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Actividad biológica
- Descripciòn
- In Vitro
Chemical Information
Pureza y Documentación
Referencias
Calculators
Help & FAQs
Classifications
Bioz

Actividad biológica

Descripciòn

In Vitro

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

Peso molecular 555.45
Fòrmula C₂₆H₂₁F₆N₂O₅^-
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
Envío

Room temperature in continental US; may vary elsewhere.
Almacenamiento

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

Pureza y Documentación

Select Batch:

Pureza: 99.98%

Assay: 99.98%

ee.: 99.98%

Ficha de datos (268 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Instrucciones de manejo (2659 KB)

Referencias

[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]

Calculators

Calculadora de molaridad

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Calculadora de dilución

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Bioz

Keywords

MOQ

Minimum order quantity

100 mg

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