CAS No. 838810-96-1
Batch:
Purity:99.98
Chemical Structure
Check the
MAC-545496
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
Chemical Information
| IUPAC Name | N-[(5-chloro-2-pyridinyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide | |
|---|---|---|
| CAS Number | 838810-96-1 | |
| Molecular Formula |
C18H18ClN5O3S
|
|
| Molecular Weight (MW) | 419.89 | |
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Cl)[N+](=O)[O-] | |
| InChIKey | AFOKREIUUQFDNW-UHFFFAOYSA-N |
Biological Activity
MAC-545496 is a potent glycopeptide-resistance-associated protein R (GraR) inhibitor that targets the GraXRS two-component regulatory system in Staphylococcus aureus. Inhibition of GraR disrupts cell wall stress responses, thereby reversing β-lactam resistance in methicillin-resistant strains and synergizing with cationic antimicrobial peptides. MAC-545496 exhibits intracellular antimicrobial activity within macrophages and attenuates S. aureus virulence in infection models. [1]
How to Prepare Stock Solution?
|
Concentration
Volume
Mass
|
|---|
Solubility
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
84 mg/mL
(200.05 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | ˂1 mg/mL |
| Ethanol | ˂1 mg/mL |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Reference
Jump to
Note: Technical data last updated: Sep 1, 2026.