Fig. 1 · Structure
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DprE1-IN-4
DprE1 Inhibitor
DprE1-IN-4 is a potent, orally active noncovalent inhibitor of DprE1, exhibiting an IC50 of 0.90 μg/mL. This compound demonstrates remarkable in vitro efficacy against Mycobacterium tuberculosis H37Rv, with minimal inhibitory concentration (MIC) values of 0.12 μg/mL for the wild-type and 0.24 μg/mL for drug-resistant strains. DprE1-IN-4 is characterized by favorable pharmacokinetic properties and has shown significant bactericidal activity in an acute mouse model of tuberculosis, making it a valuable tool for tuberculosis research and drug development.
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Specifications
| Manufacturer | Adooq Bioscience |
|---|---|
| Actions | Inhibitor |
| CAS Number | 2419160-96-4 |
| Applications | DprE1 Inhibitor |
| Formula | C20H21N3O5S |
| Molecular Weight | 415.46 |
| SMILES | O=C(OC)NC(C1=C(NC(C2=CC=C(C(N3CCCCC3)=O)C=C2)=O)SC=C1)=O |
Storage & Solubility
In Vitro Solubility
Reported Solubility
No reported solubility data are available for this product.
Preparing Stock Solutions
| Concentration | |
|---|---|
Values use four significant digits. Prepare to the final solution volume; this is not the volume of solvent to add.
Stock preparation is unavailable for this product molecular weight.
Calculated stock concentrations do not establish solvent solubility. Refer to the reported solubility data for experimental guidance.
Storage
Store powder at -20°C, keep desiccated.
In powder form, the chemical is stable for 36 months.
In solution, store at -20°C and use within 1 month to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.