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Molecule- C91

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Molecule- C91

C91

C91 is a first-generation potent IMPDH inhibitor for the species Helicobacter pylori, shown to exhibit nanomolar range of enzyme inhibition through in vitro assays. The biochemical studies of C91 reveal its uncompetitive mode of inhibition on H. pylori IMPDH (HpIMPDH) with an IC50 value of 0.155 ± 0.082 μM1 and specificity over human IMPDH II.

Purity: > 98% (HPLC)

Biological activity:

1. C91 is a potent HpIMPDH inhibitor with an IC50 value of 0.155 ± 0.082 μM1, determined using in vitro enzyme inhibition assays.
2. Kinetic characterization of C91 on HpIMPDH reveals that the molecule inhibits the enzyme mechanism with using uncompetitive inhibition.
3. C91 shows selectivity over human IMPDH II,2 making it a suitable drug-like molecule.

Physicochemical Properties:

Molecular Weight378.4350
FormulaC24H18N4O
AppearanceWhite solid powder
Storage

Solid powder

-20°C 12 Months; 4°C 6 Months

In Solvent

-80°C 6 Months; -20°C 6 Months

Solubility10 mM in DMSO

References:

(1) Juvale, K.; Purushothaman, G.; Singh, V.; Shaik, A.; Ravi, S.; Thiruvenkatam, V.; Kirubakaran, S. Identification of Selective Inhibitors of Helicobacter Pylori IMPDH as a Targeted Therapy for the Infection. Sci Rep 2019, 9 (1), 190. https://doi.org/10.1038/s41598-018-37490-x.
(2) Shah, C. P.; Purushothaman, G.; Thiruvenkatam, V.; Kirubakaran, S.; Juvale, K.; Kharkar, P. S. Design, Synthesis and Biological Evaluation of Helicobacter Pylori Inosine 5′-Monophosphate Dehydrogenase (HpIMPDH) Inhibitors. Further Optimization of Selectivity towards HpIMPDH over Human IMPDH2. Bioorganic Chemistry 2019, 87, 753–764. https://doi.org/10.1016/j.bioorg.2019.04.001.

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