CLE-030 is a KCNQ2 agonist. CLE030 stably binds to the central cavity. Functional analysis, molecular dynamics simulations, and calculations of the potential of mean force revealed that the carbonyl oxygen of CLE030 influences permeant ions in the central cavity to contribute to its activation effects.
MedKoo Cat#: 121032
Name: CLE-030
CAS#: 2803111-66-0
Chemical Formula: C20H20Br2N4OS2
Exact Mass: 553.9445
Molecular Weight: 556.34
Elemental Analysis: C, 43.18; H, 3.62; Br, 28.73; N, 10.07; O, 2.88; S, 11.53
The following data is based on the product molecular weight 556.34 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
