| MDL | MFCD32693918 |
|---|---|
| Molecular Weight | 372.48 |
| Molecular Formula | C19H24N4O2S |
| SMILES | O=C(N1CCC(C(NC2=NC(C)=CS2)=O)CC1)N(C)CC3=CC=CC=C3 |
H3B-120 is a highly selective, competitive and allosteric carbamoyl phosphate synthetase 1 (CPS1) inhibitor with an IC 50 of 1.5 μM and a K i of 1.4 μM. H3B-120 has anti-cancer activity [1] .
H3B-120 has no inhibition of CPS2 activity of CAD (CPS2, aspartyl transcarbamylase, dihydroorotase)
[1]
.
H3B-120 achieves inhibition by binding to an allosteric pocket situated between the integrating and ATP A domains
[1]
.
H3B-120 (25, 50, 75, 100 μM) inhibits urea production in a dose-dependent manner, although the cellular potency decreases significantly compared with enzymatic assays
[1]
.
The half-life of H3B-120 is only 40 min
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Solid
Room temperature in continental US; may vary elsewhere.
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
DMSO : 62.5 mg/mL ( 167.79 mM ; Need ultrasonic)
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.6847 mL | 13.4235 mL | 26.8471 mL |
| 5 mM | 0.5369 mL | 2.6847 mL | 5.3694 mL |
| 10 mM | 0.2685 mL | 1.3424 mL | 2.6847 mL |