4506-62-1
Chemical Structure
Thymidine phosphorylase-IN-1
- CAS No.: 4506-62-1
- Formula:C14H10N2O2
- Molecular Weight:238.24
IUPAC Name: 2-(2-aminophenyl)isoindoline-1,3-dione
InChIKey: OAJOEZGYYINOJB-UHFFFAOYSA-N
SMILES: C1=CC=C2C(=C1)C(=O)N(C3=CC=CC=C3N)C2=O
Biological Activity: Thymidine phosphorylase-IN-1 (compound C17) is a potent Thymidine phosphorylase inhibitor with an IC50 of 3.24 μM. Thymidine phosphorylase-IN-1 exhibits high binding affinity for Urease and Xanthine oxidase, with Kd values of 0.02 and 0.15 μM, respectively. Thymidine phosphorylase-IN-1 achieves optimal geometric complementarity and stable binding with the catalytic site of the target enzyme through hydrogen bonding, hydrophobic interactions, and π-π stacking mediated by the aminophenyl nitrogen atom. Thymidine phosphorylase-IN-1 can be used for research on tuberculosis[1].
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Thymidine phosphorylase-IN-1 | Thymidine phosphorylase-IN-1 (compound C17) is a potent Thymidine phosphorylase inhibitor with an IC50 of 3.24 μM. Thymidine phosphorylase-IN-1 exhibits high binding affinity for Urease and Xanthine oxidase, with Kd values of 0.02 and 0.15 μM, respectively. Thymidine phosphorylase-IN-1 achieves optimal geometric complementarity and stable binding with the catalytic site of the target enzyme through hydrogen bonding, hydrophobic interactions, and π-π stacking mediated by the aminophenyl nitrogen atom. Thymidine phosphorylase-IN-1 can be used for research on tuberculosis. | |||||||||||||||||||||
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