Urease/thymidine phosphorylase-IN-1
Urease/thymidine phosphorylase-IN-1 (compound 8) is a urease and thymidine phosphorylase inhibitor with a urease IC50 of 8.20 μM, thymidine phosphorylase IC50 of 9.29 μM. Urease/thymidine phosphorylase-IN-1 can be used for the research of helicobacter pylori infection, proteus mirabilis infection, cancer.
For research use only. We do not sell to patients.
- Formula: C16H12ClF3N4S2
- Molecular Weight:416.87
-
Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
Urease/thymidine phosphorylase-IN-1 (0.5 mM; 15 min for urease assay) potently inhibits Jack Bean urease (IC50 8.20 μM) and E. coli thymidine phosphorylase (IC50 9.29 μM) as a dual enzyme inhibitor[1].
Urease/thymidine phosphorylase-IN-1 binds strongly to urease (PDB 4UBP) and thymidine phosphorylase (PDB 4EAD) with binding energies of -5.476 kcal/mol and -6.870 kcal/mol, respectively, via diverse molecular interactions[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Urease/thymidine phosphorylase-IN-1 has moderate synthetic accessibility, balanced lipophilicity, and balanced moderate dermal, oral, and eye-related toxicity with minimal skin sensitization and corrosion potential.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
-
Molecular Weight 416.87
-
Formula C16H12ClF3N4S2
-
SMILES
C/C(C1=C(C)N=C(Cl)S1)=N\NC2=NC(C3=CC=C(C(F)(F)F)C=C3)=CS2
-
Shipping
Room temperature in continental US; may vary elsewhere.
-
Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)